 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer02_wB97XD-def2SVPDr.in
 Output=30_ibuprofen_conformer02_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/Gau-151075.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    151076.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer02_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 09:53:10 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer02_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.868055000000     -1.025183000000      0.932371000000
  C                                                -1.434107000000     -0.545371000000     -0.248073000000
  C                                                 0.458923000000     -0.767507000000      1.247518000000
  C                                                 1.261147000000     -0.015622000000      0.393477000000
  C                                                 0.704012000000      0.460918000000     -0.791509000000
  C                                                -0.622388000000      0.197168000000     -1.104326000000
  C                                                -2.884143000000     -0.797677000000     -0.560930000000
  C                                                -3.859347000000      0.079867000000      0.248474000000
  C                                                -5.302322000000     -0.340915000000     -0.025297000000
  C                                                -3.656246000000      1.566161000000     -0.039220000000
  C                                                 2.704700000000      0.290879000000      0.757917000000
  C                                                 3.609551000000     -0.230826000000     -0.341871000000
  O                                                 4.016576000000      0.405594000000     -1.279125000000
  O                                                 3.899108000000     -1.541087000000     -0.173315000000
  H                                                -1.472172000000     -1.614332000000      1.612565000000
  H                                                 0.878164000000     -1.158470000000      2.166794000000
  H                                                 1.314336000000      1.031987000000     -1.479725000000
  H                                                -1.035819000000      0.574991000000     -2.031681000000
  H                                                -3.119764000000     -1.847600000000     -0.364999000000
  H                                                -3.064334000000     -0.629403000000     -1.626821000000
  H                                                -3.648628000000     -0.091406000000      1.310090000000
  H                                                -5.462258000000     -1.394737000000      0.212636000000
  H                                                -5.554412000000     -0.194814000000     -1.079386000000
  H                                                -6.003960000000      0.248931000000      0.567812000000
  H                                                -4.340507000000      2.174366000000      0.555493000000
  H                                                -3.848256000000      1.784180000000     -1.093903000000
  H                                                -2.638064000000      1.883648000000      0.187153000000
  H                                                 2.943576000000     -0.269791000000      1.662471000000
  C                                                 2.939441000000      1.783706000000      0.996225000000
  H                                                 4.431862000000     -1.814062000000     -0.936873000000
  H                                                 2.272779000000      2.139344000000      1.781775000000
  H                                                 2.744635000000      2.353840000000      0.089526000000
  H                                                 3.970359000000      1.973688000000      1.298054000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 09:53:11 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.868055   -1.025183    0.932371
      2          6           0       -1.434107   -0.545371   -0.248073
      3          6           0        0.458923   -0.767507    1.247518
      4          6           0        1.261147   -0.015622    0.393477
      5          6           0        0.704012    0.460918   -0.791509
      6          6           0       -0.622388    0.197168   -1.104326
      7          6           0       -2.884143   -0.797677   -0.560930
      8          6           0       -3.859347    0.079867    0.248474
      9          6           0       -5.302322   -0.340915   -0.025297
     10          6           0       -3.656246    1.566161   -0.039220
     11          6           0        2.704700    0.290879    0.757917
     12          6           0        3.609551   -0.230826   -0.341871
     13          8           0        4.016576    0.405594   -1.279125
     14          8           0        3.899108   -1.541087   -0.173315
     15          1           0       -1.472172   -1.614332    1.612565
     16          1           0        0.878164   -1.158470    2.166794
     17          1           0        1.314336    1.031987   -1.479725
     18          1           0       -1.035819    0.574991   -2.031681
     19          1           0       -3.119764   -1.847600   -0.364999
     20          1           0       -3.064334   -0.629403   -1.626821
     21          1           0       -3.648628   -0.091406    1.310090
     22          1           0       -5.462258   -1.394737    0.212636
     23          1           0       -5.554412   -0.194814   -1.079386
     24          1           0       -6.003960    0.248931    0.567812
     25          1           0       -4.340507    2.174366    0.555493
     26          1           0       -3.848256    1.784180   -1.093903
     27          1           0       -2.638064    1.883648    0.187153
     28          1           0        2.943576   -0.269791    1.662471
     29          6           0        2.939441    1.783706    0.996225
     30          1           0        4.431862   -1.814062   -0.936873
     31          1           0        2.272779    2.139344    1.781775
     32          1           0        2.744635    2.353840    0.089526
     33          1           0        3.970359    1.973688    1.298054
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.394304   0.000000
     3  C    1.388015   2.422746   0.000000
     4  C    2.417255   2.820747   1.392221   0.000000
     5  C    2.766162   2.424767   2.393058   1.393442   0.000000
     6  C    2.388018   1.394066   2.762427   2.415864   1.388076
     7  C    2.519190   1.504707   3.800985   4.325035   3.809473
     8  C    3.261392   2.553286   4.512603   5.123437   4.695850
     9  C    4.587818   3.880015   5.915571   6.584855   6.107869
    10  C    3.928494   3.072473   4.902685   5.183630   4.560631
    11  C    3.811434   4.340628   2.530495   1.520067   2.536215
    12  C    4.722674   5.054327   3.569403   2.470233   3.020404
    13  O    5.549546   5.628263   4.518516   3.250755   3.348718
    14  O    4.920827   5.425884   3.801587   3.099538   3.820841
    15  H    1.083844   2.146183   2.139977   3.393093   3.849937
    16  H    2.142626   3.399128   1.083367   2.144162   3.377026
    17  H    3.848764   3.399848   3.377538   2.146905   1.082708
    18  H    3.372581   2.143619   3.845738   3.392089   2.139638
    19  H    2.725753   2.133287   4.071095   4.808722   4.486918
    20  H    3.395548   2.136738   4.549092   4.813327   4.010857
    21  H    2.957397   2.745553   4.163292   4.995179   4.864900
    22  H    4.664900   4.142424   6.043574   6.865773   6.517258
    23  H    5.167071   4.217924   6.473226   6.975190   6.299264
    24  H    5.304130   4.709580   6.577538   7.272012   6.847597
    25  H    4.736779   4.060769   5.671688   6.016712   5.495224
    26  H    4.569453   3.459820   5.526767   5.617614   4.750327
    27  H    3.485625   2.745736   4.212401   4.342078   3.761836
    28  H    3.953757   4.784374   2.567763   2.122620   3.401706
    29  C    4.731909   5.108894   3.567185   2.533290   3.153237
    30  H    5.674991   6.040995   4.653073   3.880419   4.369614
    31  H    4.538784   5.006893   3.467750   2.755839   3.449628
    32  H    5.017939   5.097184   4.038345   2.812023   2.919507
    33  H    5.704139   6.159904   4.454984   3.480725   4.162183
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.529927   0.000000
     8  C    3.510232   1.541506   0.000000
     9  C    4.832765   2.518556   1.527804   0.000000
    10  C    3.494694   2.540877   1.527445   2.519266   0.000000
    11  C    3.813954   5.844611   6.587167   8.070006   6.536314
    12  C    4.321322   6.522068   7.498632   8.918174   7.490832
    13  O    4.646933   7.041561   8.029310   9.432456   7.858529
    14  O    4.932772   6.834866   7.937192   9.280552   8.170456
    15  H    3.374191   2.717475   3.229498   4.355942   4.196917
    16  H    3.845730   4.661073   5.259034   6.608484   5.731578
    17  H    2.142136   4.671090   5.537165   6.912336   5.202603
    18  H    1.083357   2.731964   3.662863   4.802865   3.437871
    19  H    3.311279   1.093730   2.153709   2.673772   3.470981
    20  H    2.630460   1.094033   2.156813   2.767073   2.773326
    21  H    3.882114   2.141021   1.095794   2.140144   2.137340
    22  H    5.262404   2.757093   2.178317   1.092123   3.477359
    23  H    4.947639   2.786140   2.170693   1.093617   2.790343
    24  H    5.635605   3.478894   2.174839   1.091784   2.759591
    25  H    4.526447   3.492912   2.170876   2.754822   1.091701
    26  H    3.595127   2.807055   2.169512   2.787877   1.093964
    27  H    2.928324   2.794582   2.179201   3.477368   1.090292
    28  H    4.537545   6.259751   6.957112   8.417152   7.058620
    29  C    4.429000   6.557622   7.048810   8.572291   6.680012
    30  H    5.442291   7.395830   8.586976   9.887137   8.811877
    31  H    4.525883   6.380298   6.647964   8.173087   6.228796
    32  H    4.172932   6.483694   6.986329   8.486955   6.450449
    33  H    5.479122   7.623679   8.123575   9.648381   7.753676
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516728   0.000000
    13  O    2.425638   1.203804   0.000000
    14  O    2.376952   1.352419   2.241915   0.000000
    15  H    4.669744   5.617635   6.524441   5.660864   0.000000
    16  H    2.724295   3.822878   4.916328   3.840392   2.457450
    17  H    2.736676   2.856120   2.781135   3.874076   4.932534
    18  H    4.674833   5.008419   5.110942   5.681973   4.273648
    19  H    6.305427   6.920851   7.539221   7.028176   2.584518
    20  H    6.309964   6.808135   7.164593   7.171706   3.741482
    21  H    6.388726   7.445104   8.105948   7.827540   2.673529
    22  H    8.356903   9.162963   9.762932   9.370462   4.234242
    23  H    8.474934   9.193663   9.591882   9.591791   5.091789
    24  H    8.710836   9.668365  10.190528  10.090797   5.010026
    25  H    7.295440   8.354258   8.737003   9.067911   4.868160
    26  H    6.971400   7.761745   7.986889   8.480951   4.951831
    27  H    5.604267   6.616915   6.972722   7.388732   3.953096
    28  H    1.090702   2.112446   3.203195   2.428857   4.616179
    29  C    1.529845   2.509559   2.869953   3.652812   5.602577
    30  H    3.207207   1.880654   2.283960   0.970239   6.434061
    31  H    2.156772   3.451744   3.926299   4.473577   5.305033
    32  H    2.168905   2.759471   2.699389   4.070915   5.987278
    33  H    2.173818   2.771176   3.017102   3.810990   6.526404
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276149   0.000000
    18  H    4.929037   2.456976   0.000000
    19  H    4.782082   5.403321   3.604109   0.000000
    20  H    5.496792   4.685574   2.393606   1.754785   0.000000
    21  H    4.729103   5.803110   4.293983   2.483916   3.042415
    22  H    6.638939   7.394275   5.339490   2.454796   3.117592
    23  H    7.269412   6.988921   4.681575   3.028128   2.586318
    24  H    7.204245   7.639571   5.616592   3.685670   3.772173
    25  H    6.398329   6.117548   4.491373   4.302758   3.775213
    26  H    6.452161   5.231349   3.201776   3.775159   2.593052
    27  H    5.053446   4.373245   3.033644   3.802515   3.128519
    28  H    2.304348   3.771266   5.495089   6.585151   6.858844
    29  C    3.778293   3.055548   5.141196   7.193975   6.982033
    30  H    4.763541   4.256014   6.066442   7.573323   7.620525
    31  H    3.601218   3.575225   5.285496   7.041582   6.911531
    32  H    4.487213   2.501120   4.685686   7.228407   6.752015
    33  H    4.486289   3.956933   6.172950   8.224222   8.050955
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.488439   0.000000
    23  H    3.058153   1.765681   0.000000
    24  H    2.492869   1.766702   1.764161   0.000000
    25  H    2.486330   3.756910   3.124005   2.544509   0.000000
    26  H    3.055627   3.797046   2.612967   3.124955   1.764954
    27  H    2.486577   4.327185   3.798580   3.761178   1.765929
    28  H    6.604025   8.603811   8.929681   9.029161   7.762549
    29  C    6.856910   9.016932   8.964834   9.084244   7.303732
    30  H    8.562167   9.969494  10.117704  10.743668   9.751368
    31  H    6.345218   8.647700   8.654447   8.576233   6.726109
    32  H    6.952900   9.023308   8.759919   9.010955   7.102716
    33  H    7.893904  10.074655  10.053650  10.148649   8.346386
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765096   0.000000
    28  H    7.612186   6.161864   0.000000
    29  C    7.102216   5.636768   2.158877   0.000000
    30  H    9.029527   8.057316   3.369919   4.348347   0.000000
    31  H    6.772203   5.169582   2.503624   1.089957   5.261379
    32  H    6.722442   5.404078   3.065481   1.088625   4.612118
    33  H    8.178515   6.701751   2.494049   1.090865   4.422096
                   31         32         33
    31  H    0.000000
    32  H    1.769848   0.000000
    33  H    1.772909   1.762797   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 6.37D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.868055   -1.025183    0.932371
      2          6           0       -1.434107   -0.545371   -0.248073
      3          6           0        0.458923   -0.767507    1.247518
      4          6           0        1.261147   -0.015622    0.393477
      5          6           0        0.704012    0.460918   -0.791509
      6          6           0       -0.622388    0.197168   -1.104326
      7          6           0       -2.884143   -0.797677   -0.560930
      8          6           0       -3.859347    0.079867    0.248474
      9          6           0       -5.302322   -0.340915   -0.025297
     10          6           0       -3.656246    1.566161   -0.039220
     11          6           0        2.704700    0.290879    0.757917
     12          6           0        3.609551   -0.230826   -0.341871
     13          8           0        4.016576    0.405594   -1.279125
     14          8           0        3.899108   -1.541087   -0.173315
     15          1           0       -1.472172   -1.614332    1.612565
     16          1           0        0.878164   -1.158470    2.166794
     17          1           0        1.314336    1.031987   -1.479725
     18          1           0       -1.035819    0.574991   -2.031681
     19          1           0       -3.119764   -1.847600   -0.364999
     20          1           0       -3.064334   -0.629403   -1.626821
     21          1           0       -3.648628   -0.091406    1.310090
     22          1           0       -5.462258   -1.394737    0.212636
     23          1           0       -5.554412   -0.194814   -1.079386
     24          1           0       -6.003960    0.248931    0.567812
     25          1           0       -4.340507    2.174366    0.555493
     26          1           0       -3.848256    1.784180   -1.093903
     27          1           0       -2.638064    1.883648    0.187153
     28          1           0        2.943576   -0.269791    1.662471
     29          6           0        2.939441    1.783706    0.996225
     30          1           0        4.431862   -1.814062   -0.936873
     31          1           0        2.272779    2.139344    1.781775
     32          1           0        2.744635    2.353840    0.089526
     33          1           0        3.970359    1.973688    1.298054
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5767951           0.2455312           0.2396504
 Leave Link  202 at Mon Sep 27 09:53:11 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       970.5837382899 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0239609220 Hartrees.
 Nuclear repulsion after empirical dispersion term =      970.5597773679 Hartrees.
 Leave Link  301 at Mon Sep 27 09:53:11 2021, MaxMem=  6442450944 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  4.06D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 09:53:12 2021, MaxMem=  6442450944 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 09:53:12 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer02_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 09:53:13 2021, MaxMem=  6442450944 cpu:               4.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.060792912761    
 DIIS: error= 4.45D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.060792912761     IErMin= 1 ErrMin= 4.45D-03
 ErrMax= 4.45D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-02 BMatP= 1.59D-02
 IDIUse=3 WtCom= 9.55D-01 WtEn= 4.45D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.365 Goal=   None    Shift=    0.000
 GapD=    0.365 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.26D-03 MaxDP=4.04D-01              OVMax= 1.31D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.78D-03    CP:  1.08D+00
 E= -656.073618068715     Delta-E=       -0.012825155954 Rises=F Damp=F
 DIIS: error= 6.32D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.073618068715     IErMin= 2 ErrMin= 6.32D-04
 ErrMax= 6.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.41D-04 BMatP= 1.59D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.32D-03
 Coeff-Com: -0.200D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.199D-01 0.102D+01
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.40D-03 MaxDP=6.15D-02 DE=-1.28D-02 OVMax= 6.64D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.96D-04    CP:  1.11D+00  1.09D+00
 E= -656.074052159646     Delta-E=       -0.000434090931 Rises=F Damp=F
 DIIS: error= 6.02D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.074052159646     IErMin= 3 ErrMin= 6.02D-04
 ErrMax= 6.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.07D-04 BMatP= 4.41D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.02D-03
 Coeff-Com: -0.440D-01 0.466D+00 0.578D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.437D-01 0.464D+00 0.580D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.14D-04 MaxDP=4.52D-03 DE=-4.34D-04 OVMax= 2.50D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.33D-05    CP:  1.11D+00  1.10D+00  1.02D+00
 E= -656.074268217644     Delta-E=       -0.000216057998 Rises=F Damp=F
 DIIS: error= 1.01D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.074268217644     IErMin= 4 ErrMin= 1.01D-04
 ErrMax= 1.01D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.33D-06 BMatP= 3.07D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.01D-03
 Coeff-Com: -0.116D-01 0.604D-01 0.148D+00 0.803D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.116D-01 0.604D-01 0.148D+00 0.804D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=4.29D-05 MaxDP=2.19D-03 DE=-2.16D-04 OVMax= 7.34D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.15D-05    CP:  1.11D+00  1.10D+00  1.06D+00  1.19D+00
 E= -656.074276274521     Delta-E=       -0.000008056877 Rises=F Damp=F
 DIIS: error= 4.60D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.074276274521     IErMin= 5 ErrMin= 4.60D-05
 ErrMax= 4.60D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-06 BMatP= 9.33D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.126D-02-0.352D-01-0.284D-01 0.313D+00 0.749D+00
 Coeff:      0.126D-02-0.352D-01-0.284D-01 0.313D+00 0.749D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=2.00D-05 MaxDP=8.31D-04 DE=-8.06D-06 OVMax= 2.90D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.24D-05    CP:  1.11D+00  1.10D+00  1.08D+00  1.18D+00  9.74D-01
 E= -656.074278240491     Delta-E=       -0.000001965970 Rises=F Damp=F
 DIIS: error= 8.19D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.074278240491     IErMin= 6 ErrMin= 8.19D-06
 ErrMax= 8.19D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.85D-08 BMatP= 2.02D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.883D-03-0.144D-01-0.156D-01 0.730D-01 0.254D+00 0.702D+00
 Coeff:      0.883D-03-0.144D-01-0.156D-01 0.730D-01 0.254D+00 0.702D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=4.64D-06 MaxDP=2.17D-04 DE=-1.97D-06 OVMax= 8.86D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.30D-06    CP:  1.11D+00  1.10D+00  1.08D+00  1.19D+00  1.01D+00
                    CP:  9.69D-01
 E= -656.074278317495     Delta-E=       -0.000000077004 Rises=F Damp=F
 DIIS: error= 3.80D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.074278317495     IErMin= 7 ErrMin= 3.80D-06
 ErrMax= 3.80D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-08 BMatP= 8.85D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.287D-03-0.287D-02-0.427D-02-0.319D-02 0.341D-01 0.348D+00
 Coeff-Com:  0.628D+00
 Coeff:      0.287D-03-0.287D-02-0.427D-02-0.319D-02 0.341D-01 0.348D+00
 Coeff:      0.628D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.82D-06 MaxDP=1.00D-04 DE=-7.70D-08 OVMax= 6.77D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.21D-06    CP:  1.11D+00  1.10D+00  1.08D+00  1.19D+00  1.01D+00
                    CP:  1.02D+00  1.06D+00
 E= -656.074278340557     Delta-E=       -0.000000023063 Rises=F Damp=F
 DIIS: error= 1.15D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.074278340557     IErMin= 8 ErrMin= 1.15D-06
 ErrMax= 1.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.27D-09 BMatP= 2.33D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.428D-04 0.138D-02 0.120D-02-0.127D-01-0.295D-01-0.150D-01
 Coeff-Com:  0.222D+00 0.832D+00
 Coeff:     -0.428D-04 0.138D-02 0.120D-02-0.127D-01-0.295D-01-0.150D-01
 Coeff:      0.222D+00 0.832D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=9.11D-07 MaxDP=3.24D-05 DE=-2.31D-08 OVMax= 2.21D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.05D-07    CP:  1.11D+00  1.10D+00  1.08D+00  1.19D+00  1.02D+00
                    CP:  1.04D+00  1.11D+00  1.05D+00
 E= -656.074278343033     Delta-E=       -0.000000002475 Rises=F Damp=F
 DIIS: error= 3.63D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.074278343033     IErMin= 9 ErrMin= 3.63D-07
 ErrMax= 3.63D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-10 BMatP= 2.27D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.502D-04 0.953D-03 0.996D-03-0.588D-02-0.174D-01-0.439D-01
 Coeff-Com:  0.497D-01 0.386D+00 0.629D+00
 Coeff:     -0.502D-04 0.953D-03 0.996D-03-0.588D-02-0.174D-01-0.439D-01
 Coeff:      0.497D-01 0.386D+00 0.629D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=2.01D-07 MaxDP=7.10D-06 DE=-2.48D-09 OVMax= 8.05D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.40D-07    CP:  1.11D+00  1.10D+00  1.08D+00  1.19D+00  1.02D+00
                    CP:  1.04D+00  1.15D+00  1.02D+00  1.06D+00
 E= -656.074278343456     Delta-E=       -0.000000000423 Rises=F Damp=F
 DIIS: error= 1.13D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.074278343456     IErMin=10 ErrMin= 1.13D-07
 ErrMax= 1.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.46D-11 BMatP= 3.35D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.935D-05 0.102D-03 0.121D-03-0.972D-04-0.112D-02-0.111D-01
 Coeff-Com: -0.111D-01-0.801D-02 0.181D+00 0.850D+00
 Coeff:     -0.935D-05 0.102D-03 0.121D-03-0.972D-04-0.112D-02-0.111D-01
 Coeff:     -0.111D-01-0.801D-02 0.181D+00 0.850D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=7.80D-08 MaxDP=3.23D-06 DE=-4.23D-10 OVMax= 2.60D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.21D-08    CP:  1.11D+00  1.10D+00  1.08D+00  1.19D+00  1.02D+00
                    CP:  1.04D+00  1.15D+00  1.04D+00  1.11D+00  1.01D+00
 E= -656.074278343462     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 4.99D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.074278343462     IErMin=11 ErrMin= 4.99D-08
 ErrMax= 4.99D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.99D-12 BMatP= 2.46D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.272D-05-0.831D-04-0.829D-04 0.732D-03 0.185D-02 0.106D-02
 Coeff-Com: -0.959D-02-0.553D-01-0.397D-02 0.338D+00 0.727D+00
 Coeff:      0.272D-05-0.831D-04-0.829D-04 0.732D-03 0.185D-02 0.106D-02
 Coeff:     -0.959D-02-0.553D-01-0.397D-02 0.338D+00 0.727D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=2.77D-08 MaxDP=1.41D-06 DE=-6.37D-12 OVMax= 9.19D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.91D-08    CP:  1.11D+00  1.10D+00  1.08D+00  1.19D+00  1.02D+00
                    CP:  1.04D+00  1.15D+00  1.04D+00  1.14D+00  1.02D+00
                    CP:  9.86D-01
 E= -656.074278343545     Delta-E=       -0.000000000082 Rises=F Damp=F
 DIIS: error= 1.22D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -656.074278343545     IErMin=12 ErrMin= 1.22D-08
 ErrMax= 1.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.66D-13 BMatP= 3.99D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.192D-05-0.374D-04-0.389D-04 0.233D-03 0.691D-03 0.168D-02
 Coeff-Com: -0.895D-03-0.158D-01-0.224D-01-0.109D-01 0.216D+00 0.832D+00
 Coeff:      0.192D-05-0.374D-04-0.389D-04 0.233D-03 0.691D-03 0.168D-02
 Coeff:     -0.895D-03-0.158D-01-0.224D-01-0.109D-01 0.216D+00 0.832D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.15D-08 MaxDP=4.22D-07 DE=-8.21D-11 OVMax= 4.08D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.71D-09    CP:  1.11D+00  1.10D+00  1.08D+00  1.19D+00  1.02D+00
                    CP:  1.04D+00  1.15D+00  1.04D+00  1.14D+00  1.03D+00
                    CP:  1.05D+00  1.03D+00
 E= -656.074278343484     Delta-E=        0.000000000060 Rises=F Damp=F
 DIIS: error= 5.06D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -656.074278343545     IErMin=13 ErrMin= 5.06D-09
 ErrMax= 5.06D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.31D-14 BMatP= 3.66D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.127D-06 0.127D-05 0.143D-05-0.334D-04-0.626D-04 0.192D-03
 Coeff-Com:  0.949D-03 0.291D-02-0.361D-02-0.407D-01-0.421D-01 0.154D+00
 Coeff-Com:  0.929D+00
 Coeff:      0.127D-06 0.127D-05 0.143D-05-0.334D-04-0.626D-04 0.192D-03
 Coeff:      0.949D-03 0.291D-02-0.361D-02-0.407D-01-0.421D-01 0.154D+00
 Coeff:      0.929D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=3.90D-09 MaxDP=1.77D-07 DE= 6.03D-11 OVMax= 2.10D-07

 SCF Done:  E(RwB97XD) =  -656.074278343     A.U. after   13 cycles
            NFock= 13  Conv=0.39D-08     -V/T= 2.0113
 KE= 6.487241886117D+02 PE=-3.463528454056D+03 EE= 1.188170209733D+03
 Leave Link  502 at Mon Sep 27 09:58:09 2021, MaxMem=  6442450944 cpu:            2359.0 elap:             295.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.70695354D+02

 Leave Link  801 at Mon Sep 27 09:58:09 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10080 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 4.34D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 1.59D-01 8.52D-02.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 4.68D-02 1.05D-01.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 5.42D-03 2.42D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 7.24D-04 8.21D-03.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 9.25D-05 1.84D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 5.80D-06 5.63D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 2.69D-07 1.07D-04.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 9.70D-09 1.93D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 3.00D-10 3.76D-06.
     11 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 7.48D-12 4.86D-07.
      8 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 2.25D-13 8.16D-08.
      2 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 4.61D-14 1.52D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.12D-14
 Solved reduced A of dimension   131 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.216957D+03
      2  0.996418D+01  0.139983D+03
      3  0.341243D+01 -0.967353D+01  0.143425D+03
 Isotropic polarizability for W=    0.088559      166.79 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.262786D+03 -0.255389D+02 -0.559370D+02
      2   0.126025D+03  0.306823D+02  0.346617D+02
      3   0.136761D+03 -0.514341D+01  0.212753D+02
      4   0.150602D+02 -0.870888D+02  0.582612D+01
      5  -0.789386D+01  0.728663D+01 -0.829946D+02
      6   0.124093D+02  0.357282D+02  0.188145D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.353965D+01  0.399798D+01 -0.451654D+01
      2  -0.342259D+02 -0.279880D+01 -0.459057D+02
      3  -0.863353D+01  0.445761D+02 -0.301348D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.146051D+01  0.106651D+01 -0.239579D+02
      2  -0.480432D+02 -0.658314D+01 -0.219756D+03
      3   0.405991D+02  0.213113D+03  0.512263D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.254101D+01  0.168489D+01  0.536767D+01
      2   0.168489D+01 -0.138270D+01 -0.497865D+00
      3   0.536767D+01 -0.497865D+00  0.165108D+01
 OR G Eigenvalues:    -6.7324    -0.9024     5.3621  Iso=     0.7575
 Eigenvectors:
   (1)   0.795324  -0.299535  -0.527009
   (2)   0.200917   0.950501  -0.237024
   (3)   0.571920   0.082626   0.816138
 w=    0.088559 a.u., Optical Rotation Beta=      0.7575 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      186.22 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 3.54D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.66D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 4.22D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 6.45D-02 3.37D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 3.18D-03 9.27D-03.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 7.18D-05 1.35D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 1.49D-06 2.10D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 2.81D-08 2.45D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 4.06D-10 2.40D-06.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 4.52D-12 2.58D-07.
     30 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 4.99D-14 2.32D-08.
      7 vectors produced by pass  9 Test12= 6.13D-14 2.78D-09 XBig12= 4.43D-15 4.94D-09.
      7 vectors produced by pass 10 Test12= 6.13D-14 2.78D-09 XBig12= 6.94D-15 7.28D-09.
      7 vectors produced by pass 11 Test12= 6.13D-14 2.78D-09 XBig12= 1.41D-14 1.16D-08.
      5 vectors produced by pass 12 Test12= 6.13D-14 2.78D-09 XBig12= 6.72D-15 5.53D-09.
      5 vectors produced by pass 13 Test12= 6.13D-14 2.78D-09 XBig12= 2.87D-14 1.14D-08.
      5 vectors produced by pass 14 Test12= 6.13D-14 2.78D-09 XBig12= 6.96D-15 7.45D-09.
      5 vectors produced by pass 15 Test12= 6.13D-14 2.78D-09 XBig12= 1.24D-14 7.78D-09.
      5 vectors produced by pass 16 Test12= 6.13D-14 2.78D-09 XBig12= 1.17D-14 6.72D-09.
      5 vectors produced by pass 17 Test12= 6.13D-14 2.78D-09 XBig12= 9.90D-15 8.06D-09.
      5 vectors produced by pass 18 Test12= 6.13D-14 2.78D-09 XBig12= 6.57D-15 5.61D-09.
      5 vectors produced by pass 19 Test12= 6.13D-14 2.78D-09 XBig12= 1.08D-14 5.89D-09.
      5 vectors produced by pass 20 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D-14 1.10D-08.
      4 vectors produced by pass 21 Test12= 6.13D-14 2.78D-09 XBig12= 8.17D-15 8.23D-09.
      4 vectors produced by pass 22 Test12= 6.13D-14 2.78D-09 XBig12= 6.98D-15 6.13D-09.
      4 vectors produced by pass 23 Test12= 6.13D-14 2.78D-09 XBig12= 9.84D-15 5.79D-09.
      4 vectors produced by pass 24 Test12= 6.13D-14 2.78D-09 XBig12= 1.73D-14 7.51D-09.
      1 vectors produced by pass 25 Test12= 6.13D-14 2.78D-09 XBig12= 5.12D-15 3.92D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.55D-15
 Solved reduced A of dimension   353 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.61D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.61D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.34D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216957D+03  0.996418D+01  0.341243D+01
      2   0.996418D+01  0.139983D+03 -0.967353D+01
      3   0.341243D+01 -0.967353D+01  0.143425D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.353965D+01  0.399798D+01 -0.451654D+01
      2  -0.342259D+02 -0.279880D+01 -0.459057D+02
      3  -0.863353D+01  0.445761D+02 -0.301348D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.262786D+03 -0.255389D+02 -0.559370D+02
      2   0.126025D+03  0.306823D+02  0.346617D+02
      3   0.136761D+03 -0.514341D+01  0.212753D+02
      4   0.150602D+02 -0.870888D+02  0.582612D+01
      5  -0.789386D+01  0.728663D+01 -0.829946D+02
      6   0.124093D+02  0.357282D+02  0.188145D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.882484D+01  0.148527D+01  0.143446D+01 -0.255319D+01 -0.410858D+00
      2   0.148527D+01 -0.676876D+00  0.781838D+00 -0.410858D+00 -0.404913D+01
      3   0.143446D+01  0.781838D+00 -0.313766D+01 -0.210209D+01  0.868058D+00
                 6             7             8             9            10 
      1  -0.210209D+01  0.133597D+02  0.406542D+00  0.100660D+01 -0.293925D+02
      2   0.868058D+00  0.406542D+00 -0.135407D+01  0.140608D+01 -0.159499D+01
      3   0.711359D+00  0.100660D+01  0.140608D+01  0.130136D+01 -0.257697D+01
                11            12            13            14            15 
      1  -0.159499D+01 -0.257697D+01 -0.327865D+01 -0.408718D+01 -0.220844D+01
      2  -0.174948D+01  0.680056D+00 -0.408718D+01 -0.225765D+01 -0.648850D+00
      3   0.680056D+00 -0.258989D+01 -0.220844D+01 -0.648850D+00 -0.157781D+01
                16            17            18            19            20 
      1  -0.576599D+01 -0.233879D+01 -0.179860D+01 -0.114890D+02 -0.231676D+01
      2  -0.233879D+01 -0.547741D+00 -0.905846D+00 -0.231676D+01  0.231947D+01
      3  -0.179860D+01 -0.905846D+00 -0.980327D+00 -0.160173D+01 -0.176629D+01
                21            22            23            24            25 
      1  -0.160173D+01 -0.104807D+02  0.782266D-01 -0.521491D+00  0.720771D+01
      2  -0.176629D+01  0.782266D-01 -0.250564D+01  0.116630D+01  0.215557D+01
      3   0.572113D+00 -0.521491D+00  0.116630D+01  0.278419D+01 -0.809682D-01
                26            27            28            29            30 
      1   0.215557D+01 -0.809682D-01  0.261436D+02  0.326132D+01  0.289463D+01
      2   0.530188D+00  0.142392D+01  0.326132D+01  0.205724D+01 -0.102752D+00
      3   0.142392D+01  0.301271D+01  0.289463D+01 -0.102752D+00  0.249840D+01
                31            32            33            34            35 
      1   0.252467D+01  0.394871D+01  0.253071D+01  0.273640D+01  0.275806D+01
      2   0.394871D+01  0.172569D+01  0.137337D+01  0.275806D+01  0.178508D+01
      3   0.253071D+01  0.137337D+01  0.106212D+01  0.233279D+01 -0.431328D+00
                36            37            38            39            40 
      1   0.233279D+01 -0.782131D+01 -0.149518D+01 -0.185631D+01  0.365937D+01
      2  -0.431328D+00 -0.149518D+01  0.584078D-01 -0.721008D-01  0.110867D+01
      3   0.830568D+00 -0.185631D+01 -0.721008D-01  0.291391D+01  0.169008D+01
                41            42            43            44            45 
      1   0.110867D+01  0.169008D+01 -0.131379D+02 -0.140778D+01 -0.873802D+00
      2   0.382938D+01 -0.110178D+01 -0.140778D+01 -0.991468D-01 -0.739288D+00
      3  -0.110178D+01 -0.694620D+00 -0.873802D+00 -0.739288D+00 -0.171462D+01
                46            47            48            49            50 
      1   0.105513D+02  0.202301D+01  0.156379D+01  0.103483D+02 -0.593375D+00
      2   0.202301D+01 -0.127428D+01  0.816641D+00 -0.593375D+00  0.225715D+01
      3   0.156379D+01  0.816641D+00 -0.345605D-02  0.128749D+01 -0.166545D+01
                51            52            53            54            55 
      1   0.128749D+01 -0.699294D+01 -0.148127D+01  0.216869D-02  0.171195D+02
      2  -0.166545D+01 -0.148127D+01 -0.694674D+00 -0.118092D+01 -0.124142D+01
      3  -0.251677D+01  0.216869D-02 -0.118092D+01 -0.289784D+01 -0.131391D+00
                56            57            58            59            60 
      1  -0.124142D+01 -0.131391D+00 -0.418740D+01  0.497559D+01  0.981273D+00
      2   0.216358D+01  0.388402D+00  0.497559D+01  0.540332D+01 -0.317429D+00
      3   0.388402D+00  0.111086D+01  0.981273D+00 -0.317429D+00 -0.883709D+00
                61            62            63            64            65 
      1  -0.592099D+01  0.113024D+01  0.244351D+01 -0.327043D+01  0.410359D+01
      2   0.113024D+01 -0.155594D+01 -0.361003D+00  0.410359D+01 -0.188380D+01
      3   0.244351D+01 -0.361003D+00  0.553012D+01  0.119905D+01 -0.459728D+00
                66            67            68            69            70 
      1   0.119905D+01  0.110206D+02 -0.307940D+01 -0.471056D+00  0.806299D+01
      2  -0.459728D+00 -0.307940D+01 -0.428638D+01  0.595282D+00 -0.693721D+00
      3  -0.206629D+01 -0.471056D+00  0.595282D+00  0.167445D+01 -0.288208D+01
                71            72            73            74            75 
      1  -0.693721D+00 -0.288208D+01 -0.297546D+01 -0.357144D+01 -0.206838D+01
      2   0.134297D+01  0.163763D+01 -0.357144D+01  0.183659D+01  0.670942D+00
      3   0.163763D+01 -0.685530D+01 -0.206838D+01  0.670942D+00  0.269679D+01
                76            77            78            79            80 
      1  -0.543189D+01  0.320838D+01  0.899678D+00 -0.382334D+01  0.860615D+00
      2   0.320838D+01  0.546216D+01 -0.205192D+01  0.860615D+00 -0.225621D+01
      3   0.899678D+00 -0.205192D+01 -0.155957D+01  0.404515D+01 -0.122518D+01
                81            82            83            84            85 
      1   0.404515D+01 -0.342471D+01 -0.393357D+01 -0.265840D+01 -0.515426D+01
      2  -0.122518D+01 -0.393357D+01  0.204141D+01  0.837356D+00  0.202962D+01
      3   0.470860D+01 -0.265840D+01  0.837356D+00  0.174246D+01  0.790009D+00
                86            87            88            89            90 
      1   0.202962D+01  0.790009D+00 -0.389357D+01  0.983850D+00  0.254375D+01
      2   0.262557D+01 -0.131143D+01  0.983850D+00 -0.217587D+01 -0.289863D+01
      3  -0.131143D+01 -0.219792D+01  0.254375D+01 -0.289863D+01  0.450921D+01
                91            92            93            94            95 
      1  -0.353104D+01  0.576467D+00 -0.383490D+00  0.841095D+00 -0.471701D+01
      2   0.576467D+00 -0.200208D+01 -0.637163D+00 -0.471701D+01 -0.349878D+01
      3  -0.383490D+00 -0.637163D+00 -0.142814D+01 -0.238577D+01 -0.248870D+01
                96            97            98            99           100 
      1  -0.238577D+01  0.427607D+01 -0.183969D+01 -0.280368D+01 -0.282752D+01
      2  -0.248870D+01 -0.183969D+01 -0.105929D+01  0.262870D+01 -0.169012D+01
      3   0.170568D+01 -0.280368D+01  0.262870D+01 -0.186011D+01  0.128295D+01
               101           102           103           104           105 
      1  -0.169012D+01  0.128295D+01 -0.361585D+01  0.410774D+00  0.294448D+01
      2  -0.247241D+00  0.116620D+01  0.410774D+00  0.284550D+00  0.160763D+00
      3   0.116620D+01  0.228685D+00  0.294448D+01  0.160763D+00 -0.344389D+01
               106           107           108           109           110 
      1   0.246114D+01  0.167984D+01 -0.898871D+00  0.557042D+01  0.221976D+01
      2   0.167984D+01  0.698922D+00 -0.252851D+01  0.221976D+01  0.151022D+01
      3  -0.898871D+00 -0.252851D+01  0.196403D+01 -0.332415D+01 -0.866550D+00
               111           112           113           114           115 
      1  -0.332415D+01  0.554977D+01  0.183150D+01 -0.197661D+01 -0.790430D+01
      2  -0.866550D+00  0.183150D+01  0.420148D+01 -0.189391D+01 -0.101165D+01
      3   0.160679D+01 -0.197661D+01 -0.189391D+01  0.287396D+01  0.381764D+01
               116           117           118           119           120 
      1  -0.101165D+01  0.381764D+01 -0.681733D+00  0.912655D-01  0.206831D+01
      2  -0.295367D+01  0.228663D+01  0.912655D-01 -0.130945D+01 -0.152788D+01
      3   0.228663D+01 -0.689258D+01  0.206831D+01 -0.152788D+01 -0.148826D+01
               121           122           123           124           125 
      1  -0.269727D+01  0.456111D+00 -0.153042D+01  0.442759D+01 -0.295917D+01
      2   0.456111D+00 -0.434578D+01  0.138449D+01 -0.295917D+01  0.342049D+01
      3  -0.153042D+01  0.138449D+01  0.808059D+00 -0.154891D+01  0.707599D+00
               126           127           128           129           130 
      1  -0.154891D+01 -0.334234D+01 -0.185627D+01  0.178984D+01 -0.220072D+01
      2   0.707599D+00 -0.185627D+01 -0.180191D+01  0.136257D+01 -0.159030D+01
      3   0.292388D+01  0.178984D+01  0.136257D+01 -0.148087D+01  0.179126D+01
               131           132           133           134           135 
      1  -0.159030D+01  0.179126D+01  0.215884D+01  0.154470D+01 -0.193130D+01
      2  -0.219488D+01  0.182481D+01  0.154470D+01  0.249861D+01 -0.237344D+01
      3   0.182481D+01 -0.242570D+01 -0.193130D+01 -0.237344D+01  0.337149D+01
               136           137           138           139           140 
      1   0.193014D+01 -0.588086D+00  0.200325D+01 -0.664259D+00  0.338061D+00
      2  -0.588086D+00  0.419869D+00 -0.644093D+00  0.338061D+00 -0.113668D+01
      3   0.200325D+01 -0.644093D+00  0.230079D+01 -0.855408D+00  0.134408D+01
               141           142           143           144           145 
      1  -0.855408D+00  0.199529D+01 -0.116911D+01  0.249918D+01  0.316511D+01
      2   0.134408D+01 -0.116911D+01  0.194331D+01 -0.267875D+01  0.145951D+01
      3  -0.308346D+01  0.249918D+01 -0.267875D+01  0.649403D+01 -0.146057D+01
               146           147           148           149           150 
      1   0.145951D+01 -0.146057D+01  0.185426D+01  0.116915D+01 -0.143827D+01
      2   0.127264D+01 -0.831564D+00  0.116915D+01  0.139269D+01 -0.128456D+01
      3  -0.831564D+00  0.127131D+01 -0.143827D+01 -0.128456D+01  0.200939D+01
               151           152           153           154           155 
      1  -0.206828D+01 -0.128581D+01  0.175103D+01 -0.173778D+01  0.579966D+00
      2  -0.128581D+01 -0.195400D+01  0.181547D+01  0.579966D+00 -0.283297D+00
      3   0.175103D+01  0.181547D+01 -0.321337D+01 -0.182843D+01  0.455923D+00
               156           157           158           159           160 
      1  -0.182843D+01  0.357218D+00 -0.281448D+00  0.651463D+00 -0.229588D+01
      2   0.455923D+00 -0.281448D+00  0.833448D+00 -0.107150D+01  0.103632D+01
      3  -0.213482D+01  0.651463D+00 -0.107150D+01  0.280097D+01 -0.244292D+01
               161           162           163           164           165 
      1   0.103632D+01 -0.244292D+01 -0.314498D+01 -0.161349D+01  0.212135D+00
      2  -0.151831D+01  0.214859D+01 -0.161349D+01 -0.161554D+01 -0.238894D+00
      3   0.214859D+01 -0.641445D+01  0.212135D+00 -0.238894D+00 -0.241832D+00
               166           167           168           169           170 
      1  -0.432553D+01 -0.307718D+01 -0.444112D+00  0.365637D+01  0.299675D+00
      2  -0.307718D+01 -0.812176D+01 -0.400517D+00  0.299675D+00  0.100075D+01
      3  -0.444112D+00 -0.400517D+00 -0.775232D+00 -0.513692D+00 -0.830362D+00
               171           172           173           174           175 
      1  -0.513692D+00 -0.113645D+01  0.316901D+00 -0.123757D+01  0.227280D+01
      2  -0.830362D+00  0.316901D+00 -0.480890D+00 -0.191691D+00 -0.714083D+00
      3  -0.253220D+00 -0.123757D+01 -0.191691D+00 -0.119869D+01  0.255748D+00
               176           177           178           179           180 
      1  -0.714083D+00  0.255748D+00 -0.301067D+01 -0.176784D+00 -0.203911D+01
      2  -0.313877D+00 -0.721847D+00 -0.176784D+00 -0.100964D+01 -0.707767D+00
      3  -0.721847D+00  0.743739D+00 -0.203911D+01 -0.707767D+00 -0.677123D+01
               181           182           183           184           185 
      1   0.100697D+01 -0.986486D+00  0.107170D+01 -0.191232D+01  0.362086D+00
      2  -0.986486D+00  0.415064D+00  0.662187D-01  0.362086D+00  0.194623D-01
      3   0.107170D+01  0.662187D-01  0.755158D+00 -0.825312D-01  0.921520D+00
               186           187           188           189           190 
      1  -0.825312D-01  0.192652D+01  0.195573D-01  0.313410D+00 -0.878086D+00
      2   0.921520D+00  0.195573D-01  0.126581D+01 -0.785625D+00 -0.124959D+01
      3  -0.845494D+00  0.313410D+00 -0.785625D+00  0.700903D+01  0.474905D+00
               191           192           193           194           195 
      1  -0.124959D+01  0.474905D+00 -0.334558D+01 -0.328852D+01  0.343037D+00
      2  -0.131131D+01  0.156944D+00 -0.328852D+01 -0.787618D+01  0.108930D+01
      3   0.156944D+00 -0.445211D+00  0.343037D+00  0.108930D+01 -0.114270D+01
               196           197           198           199           200 
      1   0.116248D+01  0.462728D+00 -0.101842D+01 -0.157659D+01  0.339399D+00
      2   0.462728D+00  0.145958D+01 -0.960639D+00  0.339399D+00 -0.390004D+00
      3  -0.101842D+01 -0.960639D+00  0.274431D+00 -0.129737D+01 -0.197749D-01
               201           202           203           204           205 
      1  -0.129737D+01  0.110836D+01 -0.852746D+00  0.243195D+00 -0.387516D+01
      2  -0.197749D-01 -0.852746D+00 -0.211188D+00 -0.625613D+00 -0.241963D+00
      3  -0.146553D+01  0.243195D+00 -0.625613D+00  0.728350D+00 -0.324770D+01
               206           207           208           209           210 
      1  -0.241963D+00 -0.324770D+01 -0.702443D+01  0.203500D+01  0.236052D+01
      2  -0.114318D+01  0.167612D+00  0.203500D+01 -0.145808D+01 -0.737667D+00
      3   0.167612D+00 -0.645807D+01  0.236052D+01 -0.737667D+00 -0.174273D+01
               211           212           213           214           215 
      1   0.496134D+01 -0.221521D+01 -0.122965D+01  0.481925D+01 -0.979185D+00
      2  -0.221521D+01  0.140775D+01  0.111488D+01 -0.979185D+00  0.143664D+01
      3  -0.122965D+01  0.111488D+01  0.132382D+01 -0.267926D+01  0.969112D+00
               216           217           218           219           220 
      1  -0.267926D+01 -0.415619D+01  0.313127D+01  0.170632D+01  0.262525D+01
      2   0.969112D+00  0.313127D+01 -0.326782D+01 -0.111611D+01 -0.288507D+01
      3   0.172494D+01  0.170632D+01 -0.111611D+01 -0.144447D+01 -0.112299D+01
               221           222           223           224           225 
      1  -0.288507D+01 -0.112299D+01  0.282189D+01 -0.179320D+01 -0.184580D+01
      2   0.388694D+01  0.167632D+01 -0.179320D+01  0.283677D+01  0.194067D+01
      3   0.167632D+01  0.139384D+01 -0.184580D+01  0.194067D+01  0.167322D+01
               226           227           228           229           230 
      1  -0.505459D+00  0.863477D+00 -0.782266D+00  0.697662D+00 -0.572019D+00
      2   0.863477D+00 -0.757729D+00  0.253191D+00 -0.572019D+00  0.105477D+01
      3  -0.782266D+00  0.253191D+00 -0.103898D+01  0.200474D+00 -0.103576D+01
               231           232           233           234           235 
      1   0.200474D+00 -0.175990D+01  0.665902D+00 -0.142336D+01  0.805961D+01
      2  -0.103576D+01  0.665902D+00 -0.243684D+01  0.224949D+01  0.114883D+01
      3   0.116217D+01 -0.142336D+01  0.224949D+01 -0.600654D+01  0.109459D+01
               236           237           238           239           240 
      1   0.114883D+01  0.109459D+01  0.957246D+00  0.144911D+01  0.194932D+00
      2   0.245001D+01  0.292064D+00  0.144911D+01  0.125788D+01  0.431023D+00
      3   0.292064D+00  0.745935D+00  0.194932D+00  0.431023D+00  0.637896D+00
               241           242           243           244           245 
      1   0.107836D+01  0.301219D+00  0.400920D+00 -0.243263D+00 -0.110523D+01
      2   0.301219D+00  0.774613D+00  0.810231D+00 -0.110523D+01  0.564238D+00
      3   0.400920D+00  0.810231D+00  0.147500D+00  0.120590D+01 -0.220792D+00
               246           247           248           249           250 
      1   0.120590D+01 -0.193010D+01  0.940664D+00 -0.422217D+00  0.210788D+01
      2  -0.220792D+00  0.940664D+00 -0.145555D+01  0.145849D+01 -0.235248D+00
      3   0.107686D+01 -0.422217D+00  0.145849D+01 -0.189798D+01  0.190642D+01
               251           252           253           254           255 
      1  -0.235248D+00  0.190642D+01 -0.729046D+01 -0.358350D+01 -0.382056D+01
      2   0.182444D+01 -0.148971D+01 -0.358350D+01  0.922369D+00  0.356109D+00
      3  -0.148971D+01  0.507394D+01 -0.382056D+01  0.356109D+00  0.166899D+01
               256           257           258           259           260 
      1   0.136110D+01  0.344424D+01  0.115905D+01 -0.348213D+01  0.536547D+00
      2   0.344424D+01  0.370124D+01  0.218146D+01  0.536547D+00  0.139191D+01
      3   0.115905D+01  0.218146D+01 -0.184847D+01  0.187956D+01 -0.295740D+01
               261           262           263           264           265 
      1   0.187956D+01  0.374380D+01 -0.262029D+01 -0.176714D+01 -0.166116D+01
      2  -0.295740D+01 -0.262029D+01  0.238555D+01  0.121162D+01  0.183489D+01
      3   0.970250D-01 -0.176714D+01  0.121162D+01  0.159730D+01  0.933379D+00
               266           267           268           269           270 
      1   0.183489D+01  0.933379D+00 -0.355189D+01  0.273277D+01  0.276948D+01
      2  -0.287019D+01 -0.108738D+01  0.273277D+01 -0.314280D+01 -0.236239D+01
      3  -0.108738D+01 -0.120673D+01  0.276948D+01 -0.236239D+01 -0.296385D+01
               271           272           273           274           275 
      1  -0.150468D+01  0.111201D+01  0.161634D+01  0.569086D+00 -0.857338D+00
      2   0.111201D+01 -0.207683D+01 -0.138008D+01 -0.857338D+00  0.172721D+01
      3   0.161634D+01 -0.138008D+01 -0.220570D+01 -0.528986D+00  0.126640D+01
               276           277           278           279           280 
      1  -0.528986D+00  0.201411D+01 -0.448455D+00 -0.109073D+01  0.305576D+00
      2   0.126640D+01 -0.448455D+00  0.228015D+01  0.251644D+01  0.686563D+00
      3   0.153634D+01 -0.109073D+01  0.251644D+01  0.412656D+01 -0.318882D+00
               281           282           283           284           285 
      1   0.686563D+00 -0.318882D+00  0.841318D+00 -0.355448D-01 -0.932583D-01
      2  -0.694335D+00  0.676140D-01 -0.355448D-01  0.296824D+01 -0.159339D+01
      3   0.676140D-01 -0.450518D+00 -0.932583D-01 -0.159339D+01  0.166683D+01
               286           287           288           289           290 
      1  -0.154127D+01 -0.516589D+00 -0.382437D+00  0.115335D+02  0.401284D+01
      2  -0.516589D+00 -0.334329D+01  0.158636D+01  0.401284D+01  0.286430D+01
      3  -0.382437D+00  0.158636D+01 -0.283792D+01  0.313491D+01  0.124945D+01
               291           292           293           294           295 
      1   0.313491D+01  0.188947D+01  0.167149D+01  0.517051D+00  0.275162D+01
      2   0.124945D+01  0.167149D+01  0.108473D+01  0.443510D+00  0.100426D+01
      3   0.177672D+01  0.517051D+00  0.443510D+00  0.476893D+00  0.179004D+01
               296           297 
      1   0.100426D+01  0.179004D+01
      2   0.754441D+00  0.112225D+01
      3   0.112225D+01  0.134679D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.234885D+01 -0.189112D+00 -0.190880D+01 -0.692433D+01 -0.130219D+01
      2   0.196067D+01 -0.202782D+01  0.229085D+01 -0.580812D+01  0.144003D+01
      3  -0.716005D+01 -0.329070D+01 -0.435579D-01  0.100849D+02 -0.109520D+01
                 6             7             8             9            10 
      1  -0.354391D+01 -0.440966D+01  0.221892D+01 -0.770072D+00 -0.114840D+01
      2  -0.154426D+01 -0.490715D+01 -0.148674D+01  0.716339D-01  0.378112D+01
      3   0.356953D+01 -0.362449D+01 -0.160934D+01  0.355618D+01  0.132615D+02
                11            12            13            14            15 
      1  -0.170718D+01  0.146838D+01 -0.502992D+01  0.437663D+01 -0.695678D+01
      2   0.119453D+01 -0.318866D+01  0.752425D+01  0.310197D+01 -0.267153D+01
      3   0.158167D+01  0.729315D+00  0.140273D+02  0.129685D+01  0.448905D+00
                16            17            18            19            20 
      1   0.700216D+01  0.104960D+01 -0.505395D+01 -0.193160D+01  0.983372D+00
      2  -0.211568D+02 -0.204980D+01  0.109361D+01  0.182626D+01 -0.228692D+01
      3  -0.438710D+01  0.111231D+01 -0.124945D+01  0.251375D+01 -0.957574D+00
                21            22            23            24            25 
      1  -0.145664D+01  0.413135D+01  0.126161D+01  0.300939D+00  0.308904D+01
      2   0.838540D+01  0.187720D+01 -0.307019D+01  0.382175D+01 -0.833759D+01
      3   0.329149D+01  0.133614D+02  0.342425D+01  0.409896D+00  0.237760D+01
                26            27            28            29            30 
      1   0.280729D+01  0.368165D+01  0.117103D+01 -0.201108D+01  0.454635D+01
      2  -0.519087D-01 -0.440957D+00 -0.404836D+01  0.668666D+00 -0.325725D+01
      3   0.216182D+00 -0.233152D+01 -0.121425D+02 -0.155542D+01 -0.243261D+01
                31            32            33            34            35 
      1  -0.158005D+01  0.502481D+01 -0.582103D+01  0.870414D+01  0.281558D+01
      2   0.746127D+01  0.278487D+01 -0.418708D+01 -0.200214D+02 -0.623621D+01
      3   0.127507D+02  0.849328D+00 -0.145630D+01 -0.997245D+01 -0.757480D+00
                36            37            38            39            40 
      1  -0.384466D+01  0.726361D+00 -0.862248D+00  0.412651D+00 -0.513743D+01
      2  -0.324551D+01  0.675907D+01 -0.101982D+01  0.299957D+01 -0.719598D+01
      3  -0.152193D+01  0.237056D+01 -0.169324D+01  0.259899D+01  0.883864D+01
                41            42            43            44            45 
      1  -0.259484D+01 -0.346325D+01 -0.424402D+01  0.107837D+01 -0.265460D+01
      2   0.138390D+01 -0.235400D+01 -0.166160D+00 -0.189680D+00  0.355226D+00
      3  -0.700097D+00  0.266141D+01  0.887766D+01  0.724509D+00  0.486774D+01
                46            47            48            49            50 
      1  -0.458392D+00  0.236409D+01 -0.160927D+01  0.608187D+01  0.802840D+00
      2  -0.275238D+01 -0.366209D+01  0.833573D+01 -0.536876D+01 -0.372850D+01
      3  -0.113651D+02 -0.338319D+01  0.235542D+01  0.673468D+01  0.174468D+01
                51            52            53            54            55 
      1  -0.174327D+01  0.258963D+01  0.226894D+01  0.601190D+00 -0.163353D+01
      2   0.524609D+01 -0.479594D+01  0.551874D+00 -0.122306D+01  0.517547D+01
      3  -0.732482D+00  0.896598D+01  0.122050D+01 -0.189255D+01 -0.155517D+02
                56            57            58            59            60 
      1   0.545075D+00 -0.837248D-01 -0.115259D-01 -0.597694D+01 -0.264452D+01
      2  -0.148440D+01  0.899452D+00 -0.366996D+01  0.578467D+01  0.322459D+01
      3   0.516621D+01  0.166481D+01  0.272265D+02  0.124354D+02 -0.149338D+01
                61            62            63            64            65 
      1   0.972316D+00  0.203915D+01  0.609473D+01  0.199382D+01 -0.534485D+00
      2  -0.190287D+02  0.276491D+01 -0.200697D+02 -0.100674D+02  0.199539D+01
      3   0.915636D+01 -0.569675D+01 -0.472950D+01  0.242749D+02 -0.121220D+02
                66            67            68            69            70 
      1   0.676153D+00  0.110257D+01 -0.810580D+00 -0.249132D+01 -0.128605D+01
      2   0.107130D+02  0.408316D+01 -0.446436D+01 -0.608680D+01  0.980961D+01
      3  -0.202490D+01 -0.116224D+02 -0.165531D+02  0.264324D+01 -0.845852D+01
                71            72            73            74            75 
      1   0.398985D+01  0.139506D+01 -0.937292D+00 -0.226234D+00  0.110131D+01
      2  -0.828056D+01  0.319527D+02  0.132847D+02 -0.367822D+01 -0.136531D+02
      3   0.534186D+01  0.827446D+01 -0.181888D+02  0.107444D+02  0.492812D+01
                76            77            78            79            80 
      1  -0.985263D+00 -0.164349D+01 -0.194976D+01  0.206528D+01  0.136767D+01
      2  -0.508230D+01  0.127626D+02  0.790098D+01 -0.276046D+02  0.655074D+01
      3   0.260081D+02  0.309086D+02 -0.121480D+02  0.641803D+01 -0.130302D+02
                81            82            83            84            85 
      1   0.195242D+01  0.477953D+01 -0.163347D+01 -0.386976D+01 -0.195290D+01
      2  -0.270082D+02  0.993046D+01 -0.406546D+01 -0.506524D+01 -0.438117D+01
      3  -0.942664D+01 -0.259759D+02 -0.370977D+01 -0.155567D+01  0.100667D+01
                86            87            88            89            90 
      1   0.496479D+01  0.312738D+01 -0.585306D+01  0.893075D+01 -0.876507D+01
      2   0.508559D+01  0.851051D+01 -0.123947D+02  0.110809D+02 -0.176675D+02
      3   0.132454D+02 -0.338581D+01 -0.139954D+01 -0.609358D+01 -0.793887D+01
                91            92            93            94            95 
      1  -0.136188D+01 -0.187255D+01  0.742462D+00 -0.410406D+01 -0.180029D+01
      2   0.773871D+01 -0.154638D+01  0.716222D+00 -0.875622D+01 -0.431133D+01
      3  -0.572132D+01  0.118607D+01  0.166910D+01  0.226876D+02  0.100574D+02
                96            97            98            99           100 
      1  -0.653386D+01  0.338205D+01  0.178708D+01  0.378339D+01  0.194275D+01
      2   0.832402D+01 -0.224194D+02  0.936348D+01 -0.459593D+01 -0.149576D+02
      3   0.797358D+01  0.862866D+01  0.475230D+01 -0.967712D+01  0.149614D+02
               101           102           103           104           105 
      1   0.670984D+01 -0.890619D+00  0.307422D+01  0.544752D+01  0.157363D+01
      2   0.586967D+01  0.389742D+01  0.982796D+01  0.109149D+01 -0.956712D+01
      3  -0.413745D+01 -0.441214D+01 -0.317382D+00 -0.346849D+01 -0.398488D+01
               106           107           108           109           110 
      1  -0.290189D+01  0.714058D+00 -0.291973D+01 -0.168946D+01 -0.435448D+01
      2  -0.703704D+01 -0.854186D+01  0.187620D+02 -0.522837D+01 -0.312182D+01
      3  -0.138998D+01 -0.127411D+02  0.778812D+01 -0.954422D+01 -0.867350D+01
               111           112           113           114           115 
      1  -0.951005D+00 -0.990647D+00 -0.566102D+01 -0.268874D+01 -0.149413D+00
      2   0.844813D+01 -0.676577D+01 -0.856544D+01  0.109329D+02  0.103119D+02
      3   0.341360D+01 -0.167403D+01 -0.166735D+02  0.759480D+01 -0.337442D+01
               116           117           118           119           120 
      1   0.797383D+01  0.554574D+00  0.302479D+01 -0.154101D+01 -0.674248D+00
      2   0.977078D+01 -0.309102D+02  0.980655D+01 -0.675917D+01 -0.303101D+01
      3   0.155691D+02 -0.848346D+01 -0.590543D+00  0.250793D+01  0.353621D+01
               121           122           123           124           125 
      1   0.111950D+01  0.149351D+01 -0.603962D+01 -0.324446D+01  0.287335D+01
      2  -0.223699D+01  0.523618D+01  0.520481D+00 -0.698310D+01  0.245686D+01
      3   0.302002D+01  0.183618D+02 -0.471833D+01  0.722267D+01 -0.928435D+01
               126           127           128           129           130 
      1   0.583321D+01  0.211430D+00 -0.186327D+01 -0.918127D+00  0.924117D+00
      2   0.113111D+02  0.503399D+01  0.118888D+01 -0.129923D-01  0.180073D+01
      3   0.168484D+00  0.426299D+01 -0.446002D+00 -0.923141D+00  0.389375D+01
               131           132           133           134           135 
      1  -0.276020D+00 -0.319024D+01 -0.545834D+00  0.190472D+01  0.173759D+01
      2   0.417758D+00  0.493935D+00 -0.268374D+01  0.931928D-02 -0.158236D+01
      3  -0.102176D+01 -0.625171D+00 -0.162695D+01  0.163426D+01 -0.607986D-02
               136           137           138           139           140 
      1   0.138414D+01  0.104259D+01  0.218811D+01 -0.478191D+00 -0.757200D+00
      2  -0.338691D+01  0.298584D+00 -0.817821D+00  0.592650D+00  0.137399D+00
      3  -0.292648D+01 -0.319367D+00 -0.171432D+01  0.141687D+01  0.600715D+00
               141           142           143           144           145 
      1  -0.280564D+01  0.469267D+00  0.311764D+01  0.227509D+01 -0.124546D+01
      2  -0.116402D+01 -0.439668D+01  0.199361D+00  0.907207D+00  0.548812D+01
      3   0.511943D+00 -0.244390D+01 -0.761884D+00 -0.147648D+01  0.287184D+01
               146           147           148           149           150 
      1  -0.261841D+01 -0.298630D+00 -0.676345D+00 -0.118429D+01 -0.183782D+01
      2   0.147010D+01 -0.378345D+00  0.308043D+01  0.530322D+00  0.436377D+00
      3  -0.815158D+00 -0.495738D+00  0.265427D+01 -0.900987D+00 -0.202274D-01
               151           152           153           154           155 
      1   0.414075D+00  0.269867D+01  0.321050D+00 -0.343883D+00  0.136004D+01
      2  -0.258658D+01 -0.377559D+00 -0.117416D+01 -0.368840D+01  0.589281D+00
      3  -0.811796D+00  0.208160D+01 -0.282176D+00 -0.118166D+01 -0.401417D+00
               156           157           158           159           160 
      1   0.641777D+00  0.818395D-01 -0.129770D+01 -0.964315D+00 -0.137515D+01
      2  -0.533928D+00  0.472205D+00  0.294462D+00 -0.148929D+01 -0.478670D+01
      3  -0.346975D+00  0.892408D+00  0.556800D+00 -0.194283D+00 -0.724614D+00
               161           162           163           164           165 
      1   0.437996D+01 -0.121142D+01  0.109430D+01  0.928452D+00 -0.883284D+00
      2   0.185895D+00  0.171122D+01 -0.350248D+01 -0.523320D+00  0.197970D+01
      3  -0.142147D+01  0.136488D+00 -0.159421D+01 -0.461749D+01 -0.798224D+00
               166           167           168           169           170 
      1   0.143970D+01  0.532161D+01 -0.298325D+01 -0.878701D+00 -0.900785D+00
      2  -0.142511D+01 -0.211133D+01  0.272476D+01  0.155804D+01  0.250513D+01
      3  -0.220979D+01 -0.222584D+02 -0.120509D+01 -0.251090D+01  0.307224D+01
               171           172           173           174           175 
      1   0.196519D+00 -0.157301D+01  0.547682D+00 -0.949451D+00  0.194158D-01
      2   0.102596D+01  0.377273D+01  0.735524D+00  0.442913D+01  0.111531D+01
      3  -0.155320D+01  0.277863D+01 -0.264177D+01  0.689116D+00 -0.214372D+01
               176           177           178           179           180 
      1  -0.676354D+00  0.179072D+00 -0.176073D+01  0.294516D+01 -0.702453D+01
      2   0.145309D+01 -0.272421D+01  0.568349D+00  0.190795D+01  0.205061D+02
      3  -0.345735D+00 -0.219762D+01  0.207899D+01 -0.350260D+01  0.793564D+00
               181           182           183           184           185 
      1  -0.150308D+01  0.824102D+00 -0.123560D+00  0.367424D+00 -0.229022D+00
      2  -0.724570D+01  0.529543D+00 -0.357881D+01  0.204183D+01 -0.426799D+01
      3  -0.463897D+01  0.136642D+01 -0.145515D+00  0.394677D+01  0.217218D-02
               186           187           188           189           190 
      1  -0.479617D+00 -0.700915D+00  0.328353D+01 -0.103270D+01  0.123595D+00
      2   0.399230D+01 -0.688641D+01  0.378502D+01 -0.297168D+02 -0.273637D+01
      3   0.386049D+01 -0.539821D+00  0.492615D+01 -0.348331D+01 -0.661031D+01
               191           192           193           194           195 
      1   0.691570D-01 -0.579385D+00  0.254543D+00  0.309275D+00 -0.325000D+01
      2  -0.799978D+00  0.299240D+01 -0.161816D+01 -0.664148D+01  0.725411D+01
      3  -0.765525D+01  0.558550D+00 -0.124873D+02 -0.426499D+02  0.603248D+01
               196           197           198           199           200 
      1  -0.520650D+00  0.377130D+00  0.435834D+00 -0.658322D+00  0.423534D+00
      2   0.416255D+01  0.518824D+01 -0.143308D+01  0.734992D+01  0.187932D+00
      3   0.149404D+01  0.814660D+01 -0.438176D+01  0.261054D+01 -0.320300D+01
               201           202           203           204           205 
      1  -0.813144D+00  0.144496D+00 -0.478211D+00 -0.438634D+00 -0.110020D+01
      2   0.928212D+01 -0.818034D+00  0.319772D+01 -0.419434D+01  0.141595D+02
      3   0.529822D+00 -0.369652D+01 -0.619007D+00 -0.323500D+01  0.442440D+00
               206           207           208           209           210 
      1   0.295482D+01 -0.266496D+01  0.855950D+00 -0.939300D+00 -0.137221D-01
      2  -0.128780D+01  0.368382D+02 -0.126808D+02  0.413686D+01  0.121792D+02
      3  -0.710021D+01  0.309359D+01  0.137374D+02 -0.115495D+02 -0.531493D+01
               211           212           213           214           215 
      1  -0.377790D+00  0.986080D+00 -0.596958D+00 -0.537559D+00  0.181663D+01
      2   0.625236D+01 -0.634062D+01 -0.856069D+01  0.133048D+02 -0.559913D+01
      3  -0.125624D+02  0.973887D+01  0.688103D+01 -0.685838D+01  0.966464D+01
               216           217           218           219           220 
      1   0.162494D+00 -0.353488D+01  0.161836D+01  0.437611D+01  0.267882D+01
      2  -0.101597D+02 -0.624297D+01  0.443697D+01  0.720241D+01  0.388404D+01
      3   0.663655D+01  0.461102D+01 -0.970468D+01 -0.136729D+01 -0.358158D+01
               221           222           223           224           225 
      1  -0.292789D+01 -0.439052D+01  0.388695D+01 -0.215265D+01 -0.373395D+01
      2  -0.648730D+01 -0.640893D+01  0.574913D+01 -0.756637D+01 -0.686052D+01
      3   0.111323D+02  0.435419D+01 -0.106568D+01  0.902483D+01  0.472959D+01
               226           227           228           229           230 
      1   0.151312D+01 -0.535333D-01  0.210852D+01 -0.466764D+00  0.161762D+01
      2   0.290364D+01 -0.938996D+00  0.431621D+01 -0.422596D+00  0.358778D+01
      3   0.332759D+01 -0.252419D+01 -0.295070D-01  0.233322D+00  0.301224D+01
               231           232           233           234           235 
      1  -0.360941D+01  0.249467D+01 -0.105830D+01  0.127018D+02 -0.109417D+01
      2  -0.411122D+01  0.163026D+01 -0.820424D+01  0.227864D+02 -0.395258D+01
      3  -0.347374D+01 -0.126374D+01 -0.940335D+01  0.726207D+01  0.252817D+02
               236           237           238           239           240 
      1  -0.321737D+00 -0.243703D+01 -0.121290D+00 -0.812393D+00 -0.185030D+01
      2  -0.899988D+00 -0.136036D+01 -0.559737D+00 -0.163181D+01 -0.122679D+01
      3   0.978188D+01  0.340616D+01  0.101392D+02  0.635762D+01  0.224709D+01
               241           242           243           244           245 
      1  -0.197742D+01 -0.461923D-01 -0.982699D-01 -0.183761D+01  0.853591D+00
      2  -0.408177D+01 -0.241686D+01 -0.327123D+00  0.439524D+01  0.467258D+00
      3   0.306967D+01  0.331340D+01  0.395003D+01  0.388395D+01 -0.232961D+01
               246           247           248           249           250 
      1  -0.638328D+00  0.664349D+00 -0.283028D+01  0.638815D+00 -0.996609D+00
      2   0.320432D+01  0.149320D+01  0.399540D+01 -0.562208D+01  0.151856D+01
      3   0.110385D+01 -0.506269D+00  0.457894D+01 -0.467610D+01  0.149303D+00
               251           252           253           254           255 
      1   0.429394D+01 -0.242155D+01  0.343710D+01  0.122133D+01 -0.462947D+01
      2  -0.489427D+01  0.137841D+02 -0.531999D+01  0.421072D+01  0.119490D+02
      3  -0.607779D+01  0.547013D+01 -0.334415D+01 -0.133772D+02 -0.895344D+01
               256           257           258           259           260 
      1   0.283069D+01 -0.295710D+00  0.686214D+01 -0.255057D+01  0.121242D+02
      2   0.275398D+01  0.433943D+01 -0.874620D+01  0.852522D+01 -0.108984D+02
      3  -0.136316D+02 -0.858633D+01 -0.683258D+01 -0.785222D+01 -0.447420D+01
               261           262           263           264           265 
      1  -0.375444D+01 -0.244647D+01  0.101435D+01  0.278961D+01  0.196834D+01
      2  -0.887865D+00 -0.591216D+01  0.501507D+01  0.638665D+01  0.333414D+01
      3   0.136478D+02  0.501503D+01 -0.728006D+01 -0.228363D+01 -0.370683D+01
               266           267           268           269           270 
      1  -0.177335D+01 -0.235846D+01  0.334919D+01 -0.159495D+01 -0.451460D+01
      2  -0.453760D+01 -0.515371D+01  0.911746D+01 -0.911784D+01 -0.125054D+02
      3   0.877801D+01  0.294404D+01 -0.590708D+01  0.102558D+02  0.639967D+01
               271           272           273           274           275 
      1  -0.234778D+01 -0.105126D+01  0.387669D+01 -0.473608D+00 -0.486270D+00
      2   0.829851D+01 -0.495673D+01 -0.781712D+01 -0.235642D+01  0.505922D+01
      3  -0.832653D+01  0.720911D+01  0.736288D+01  0.546285D+01 -0.657303D+01
               276           277           278           279           280 
      1  -0.293903D+01  0.255691D+01 -0.483861D+00 -0.573813D+01  0.241735D+01
      2   0.511896D+01 -0.785327D+01  0.794213D+01  0.131437D+02 -0.199866D+01
      3  -0.521618D+01  0.628600D+01 -0.758573D+01 -0.107716D+02 -0.319135D+01
               281           282           283           284           285 
      1  -0.618566D+00  0.190545D+01 -0.140647D-01  0.650122D+01 -0.691407D+01
      2  -0.284675D+00 -0.132238D+01 -0.900832D+00 -0.506786D+01  0.520765D+01
      3   0.265999D+01 -0.137780D+01  0.285381D+01 -0.934305D+01  0.524243D+01
               286           287           288           289           290 
      1   0.142934D+01 -0.506515D+01  0.108131D+02 -0.127884D+01  0.189235D+01
      2  -0.276419D+01  0.541045D+01 -0.911997D+01 -0.208021D+01  0.223760D+00
      3  -0.301622D+01  0.991364D+01 -0.669765D+01  0.730973D+01 -0.581213D+01
               291           292           293           294           295 
      1  -0.310537D+01  0.737047D+00  0.543556D+00 -0.191069D+01 -0.239092D+01
      2   0.512325D+01 -0.228549D+00 -0.458045D+00  0.210288D+01  0.198529D+01
      3   0.121744D+01 -0.608667D+00 -0.131157D+01 -0.736146D-01  0.206037D+01
               296           297 
      1  -0.512979D+00 -0.117251D+01
      2   0.254484D+01  0.297266D+01
      3  -0.142980D+01 -0.871205D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.860449D+01 -0.110975D+02  0.201434D+02  0.130482D+02 -0.137216D+02
      2  -0.313194D+01  0.227873D+01 -0.283230D+01  0.215762D+00  0.214266D+02
      3   0.117364D+02  0.881878D+01 -0.173111D+02 -0.132640D+02 -0.770501D+01
      4  -0.981786D+01 -0.602793D+01  0.819116D+01  0.180691D+01  0.134059D+01
      5   0.906948D+01  0.594076D+01  0.364084D+01  0.836434D+01  0.230869D+01
      6   0.510329D+01 -0.256483D+01  0.405524D+01  0.595404D+01 -0.453042D-01
                 6             7             8             9            10 
      1   0.284438D+01 -0.346060D+02 -0.147674D+02  0.795005D+01  0.548202D+02
      2  -0.522297D+01  0.113259D+02  0.833571D+01 -0.916674D+01 -0.211587D+02
      3   0.237859D+01  0.232801D+02  0.643172D+01  0.121669D+01 -0.336614D+02
      4   0.297594D+01 -0.442271D+01  0.844156D+00 -0.492980D+01  0.498024D+00
      5  -0.756814D+01  0.754322D+01 -0.638830D+01  0.295002D+01  0.330216D+01
      6   0.650965D+00 -0.105103D+02 -0.708035D+01  0.743246D+01  0.252645D+01
                11            12            13            14            15 
      1   0.606918D+00  0.511645D+01 -0.655657D+01 -0.567387D+01  0.932080D+01
      2   0.136330D+01 -0.510858D+01  0.387934D+01  0.646600D+01 -0.354395D+01
      3  -0.197022D+01 -0.786871D-02  0.267723D+01 -0.792131D+00 -0.577685D+01
      4   0.269330D+01 -0.420668D+01  0.814466D+01  0.247575D+01  0.139717D+01
      5  -0.416348D+01  0.436102D+01  0.134427D+02  0.426339D+00  0.231912D+01
      6  -0.173420D+01  0.272515D+01  0.482951D+01  0.368710D+01  0.109404D+02
                16            17            18            19            20 
      1   0.821306D+01  0.119579D+02 -0.157042D+02  0.123475D+02  0.182048D+02
      2   0.374136D+01  0.329826D+01  0.402578D+01  0.282123D+01 -0.121862D+02
      3  -0.119544D+02 -0.152561D+02  0.116784D+02 -0.151687D+02 -0.601864D+01
      4   0.197012D+02  0.203918D+01 -0.103377D+01  0.402147D+01  0.348780D+01
      5  -0.929587D+01 -0.890842D-01  0.224112D+01 -0.140734D+02  0.216359D+01
      6   0.428135D+01  0.669663D+01 -0.440788D+01 -0.240614D+01  0.471871D+01
                21            22            23            24            25 
      1  -0.178201D+02 -0.977852D+01 -0.269616D+01 -0.164030D+02  0.146965D+02
      2   0.122762D+02  0.211794D+01  0.100120D+02 -0.576604D+01 -0.484388D+01
      3   0.554392D+01  0.766059D+01 -0.731583D+01  0.221691D+02 -0.985258D+01
      4   0.313557D+00  0.118420D+02 -0.655267D+01 -0.514324D+00  0.205292D+01
      5  -0.107259D+02 -0.305358D+01 -0.575082D+00 -0.495522D+00  0.772240D+01
      6  -0.706779D+01 -0.359360D+01 -0.245514D+01  0.746807D+00  0.121223D+02
                26            27            28            29            30 
      1  -0.698519D+01  0.190779D+01  0.107197D+02  0.316434D+01  0.650521D+00
      2  -0.727679D+00 -0.286208D+01 -0.217980D+01 -0.210430D+01 -0.295352D+01
      3   0.771287D+01  0.954287D+00 -0.853989D+01 -0.106004D+01  0.230300D+01
      4  -0.299674D+01  0.795601D+01  0.262605D+01  0.466802D+01 -0.206526D+01
      5   0.766803D+01 -0.559525D+01  0.679545D+01 -0.155242D+01  0.599173D+01
      6   0.102189D+01  0.117168D+02  0.719842D+01  0.281849D+01 -0.903887D+00
                31            32            33            34            35 
      1  -0.113992D+02 -0.804483D+01  0.107296D+02  0.224948D+00  0.134627D+02
      2  -0.927901D+00  0.356405D+01 -0.425862D+01  0.581793D+01  0.178081D+01
      3   0.123271D+02  0.448078D+01 -0.647097D+01 -0.604288D+01 -0.152435D+02
      4   0.860426D+01  0.285697D+01  0.290353D+01  0.214508D+02  0.349739D+01
      5   0.180895D+02  0.400823D+01  0.195423D+01 -0.633194D+01 -0.303723D+01
      6   0.375059D+01  0.457567D+01  0.990978D+01  0.245357D+01  0.660424D+01
                36            37            38            39            40 
      1  -0.173496D+02  0.249218D+01 -0.916688D+01  0.220895D+02  0.106936D+02
      2   0.446529D+01 -0.834219D+01  0.185806D+01 -0.488735D+01  0.142903D+01
      3   0.128843D+02  0.585002D+01  0.730882D+01 -0.172022D+02 -0.121227D+02
      4  -0.307098D+01 -0.126283D+02 -0.552422D+01  0.573320D+01  0.499585D+01
      5  -0.206913D+01  0.101609D+02  0.354196D+01  0.418952D+01  0.456212D+01
      6  -0.583163D+01  0.371670D+01 -0.315464D+01 -0.639818D+00  0.304170D+01
                41            42            43            44            45 
      1  -0.581603D+01 -0.244180D+00 -0.202783D+02 -0.123502D+02  0.108064D+02
      2   0.120837D+02 -0.194780D+01  0.334306D+01  0.414855D+01 -0.830364D+01
      3  -0.626764D+01  0.219198D+01  0.169353D+02  0.820162D+01 -0.250278D+01
      4   0.874365D+00  0.629876D+00 -0.756621D+01 -0.353917D+01 -0.570471D+01
      5   0.187729D+01 -0.851598D+01  0.943943D+01 -0.516429D+01  0.184990D+01
      6   0.224668D+01  0.189471D+01 -0.125675D+02 -0.492377D+01  0.751597D+01
                46            47            48            49            50 
      1  -0.456307D+01  0.119524D+02 -0.156386D+02 -0.204588D+02  0.205759D+01
      2   0.101521D+02 -0.604914D+01  0.956512D+01  0.738116D+01  0.395777D+01
      3  -0.558903D+01 -0.590328D+01  0.607350D+01  0.130777D+02 -0.601536D+01
      4   0.841914D+01  0.716669D+01 -0.124180D+01  0.129712D+02 -0.451158D+01
      5  -0.141085D+02  0.105097D+01 -0.899466D+01 -0.804113D+01 -0.329264D+00
      6   0.367478D+00  0.296972D+01 -0.601279D+01 -0.278286D+01  0.224027D+01
                51            52            53            54            55 
      1  -0.222212D+02  0.220866D+02 -0.607826D+01  0.922385D+00 -0.544853D+02
      2   0.107344D+00 -0.639786D+01 -0.643496D+00  0.238085D+00  0.204320D+02
      3   0.221139D+02 -0.156887D+02  0.672176D+01 -0.116047D+01  0.340533D+02
      4   0.492446D-01  0.212655D+01 -0.181298D+01  0.532151D+01  0.936285D+01
      5   0.534019D+00  0.559592D+01  0.510583D+01 -0.524913D+01  0.653984D+01
      6   0.408062D+01  0.879110D+01  0.238881D+01  0.148907D+02  0.952963D+00
                56            57            58            59            60 
      1   0.122584D+02  0.552901D+01  0.400447D+02 -0.106934D+02 -0.583285D+01
      2  -0.847179D+01 -0.796330D+00 -0.294744D+02 -0.112675D+02  0.127014D+01
      3  -0.378665D+01 -0.473268D+01 -0.105703D+02  0.219608D+02  0.456271D+01
      4  -0.150291D+02 -0.222927D+01 -0.331737D+02 -0.391766D+02  0.210234D+01
      5  -0.228322D+01 -0.674987D+01 -0.592931D+01  0.340325D+01  0.537250D+01
      6  -0.170648D+01 -0.100585D+01 -0.378998D+01 -0.167784D+01  0.138831D+01
                61            62            63            64            65 
      1   0.375045D+02 -0.796789D+01 -0.138469D+01 -0.187654D+02 -0.338636D+02
      2  -0.110607D+02  0.556914D+01  0.129870D+02  0.149248D+02  0.144038D+02
      3  -0.264438D+02  0.239875D+01 -0.116023D+02  0.384064D+01  0.194598D+02
      4  -0.677649D+01  0.105707D+02  0.230875D+01 -0.363051D+02  0.147587D+02
      5  -0.187142D+02  0.252752D+01 -0.381263D+02 -0.132806D+02  0.349486D+01
      6  -0.198326D+01  0.442799D+00 -0.555978D+01  0.176364D+01  0.157795D+01
                66            67            68            69            70 
      1  -0.101494D+02 -0.706469D+02  0.265417D+02  0.176394D+00 -0.409987D+02
      2   0.724862D+01  0.360140D+02 -0.153347D+02 -0.289860D+00  0.173381D+02
      3   0.290074D+01  0.346328D+02 -0.112071D+02  0.113466D+00  0.236607D+02
      4   0.321680D+01  0.250129D+02  0.349403D+02 -0.525297D+01  0.552888D+01
      5   0.154409D+02  0.591816D+01 -0.643381D+01 -0.123117D+02  0.293575D+02
      6  -0.285982D-01 -0.100828D+01  0.248750D+01 -0.239034D+00 -0.116208D+01
                71            72            73            74            75 
      1   0.183398D+01  0.263118D+02  0.301268D+02  0.411363D+02  0.245079D+02
      2  -0.116832D+01 -0.602349D+01 -0.138517D+02 -0.233350D+02 -0.112477D+02
      3  -0.665662D+00 -0.202883D+02 -0.162751D+02 -0.178012D+02 -0.132602D+02
      4  -0.976522D+01 -0.130808D+02  0.417292D+02 -0.194210D+02 -0.743764D+01
      5  -0.126903D+02  0.558236D+02  0.269754D+02 -0.828450D+01 -0.301732D+02
      6   0.402202D+01  0.638325D+00 -0.175565D+00  0.124230D+01 -0.682148D-01
                76            77            78            79            80 
      1   0.570695D+02 -0.268322D+02 -0.118370D+02  0.393238D+02 -0.105769D+02
      2  -0.341878D+02  0.505483D+01  0.755315D+01 -0.162571D+02  0.724882D+01
      3  -0.228817D+02  0.217774D+02  0.428390D+01 -0.230666D+02  0.332805D+01
      4  -0.345842D+02 -0.582421D+02  0.228918D+02 -0.945362D+01  0.234979D+02
      5  -0.114952D+02  0.252036D+02  0.170710D+02 -0.478633D+02  0.141895D+02
      6   0.345876D+01  0.357626D+01 -0.571877D+00  0.314087D+00 -0.107786D+01
                81            82            83            84            85 
      1  -0.388819D+02  0.371061D+02  0.264325D+02  0.196312D+02  0.330037D+02
      2   0.258905D+02 -0.289186D+02 -0.803492D+01 -0.761240D+01 -0.124143D+02
      3   0.129914D+02 -0.818748D+01 -0.183975D+02 -0.120188D+02 -0.205894D+02
      4   0.143114D+02  0.237069D+02 -0.257357D+02 -0.133968D+02 -0.283852D+02
      5  -0.519396D+02  0.195567D+02 -0.950585D+01 -0.144210D+02 -0.899477D+01
      6  -0.268099D+01 -0.124081D+02  0.334480D+01  0.788914D+01  0.492174D+01
                86            87            88            89            90 
      1  -0.266074D+02 -0.332478D+01  0.264677D+02 -0.663790D+01 -0.942796D+01
      2   0.210199D+02 -0.373387D+01 -0.786119D+01 -0.333966D+01  0.366311D+01
      3   0.558752D+01  0.705865D+01 -0.186065D+02  0.997755D+01  0.576485D+01
      4  -0.136005D+02  0.120026D+02 -0.151204D+02  0.199848D+02  0.280693D+02
      5   0.116847D+02  0.181364D+02 -0.228313D+02  0.239814D+02 -0.353690D+02
      6  -0.898092D+01 -0.831196D+01  0.109481D+02 -0.121788D+02  0.162308D+02
                91            92            93            94            95 
      1   0.877849D+01  0.141647D+02  0.756683D+01  0.183719D+02 -0.181096D+01
      2  -0.482433D+01 -0.106894D+02 -0.103921D+01 -0.183444D+02 -0.340145D+01
      3  -0.395416D+01 -0.347539D+01 -0.652762D+01 -0.274511D-01  0.521241D+01
      4   0.103249D+02 -0.763982D+01 -0.209993D+01 -0.296327D+02 -0.202841D+02
      5   0.398497D+01 -0.231138D+01 -0.623777D+01 -0.151781D+02 -0.153799D+02
      6   0.105282D+01 -0.423721D+01 -0.156698D+01 -0.104483D+02 -0.856792D+01
                96            97            98            99           100 
      1  -0.664723D+01  0.223924D+02 -0.831271D+01 -0.856212D+01 -0.965768D+01
      2  -0.618769D+01 -0.837706D+01 -0.433433D+01  0.120766D+02  0.553798D+01
      3   0.128349D+02 -0.140154D+02  0.126470D+02 -0.351447D+01  0.411970D+01
      4  -0.147638D+02 -0.139248D+02 -0.681483D+01  0.182309D+02 -0.968721D+01
      5   0.135509D+02 -0.188975D+02  0.186589D+02 -0.153284D+02  0.145686D+02
      6  -0.749271D+01  0.153804D+01 -0.161137D+01  0.579256D+01  0.241783D+01
               101           102           103           104           105 
      1  -0.109204D+02  0.376360D+01 -0.192823D+02  0.193105D+01  0.191900D+02
      2   0.107298D+02 -0.748359D+01  0.198262D+02 -0.100564D+02 -0.181299D+02
      3   0.190631D+00  0.371999D+01 -0.543894D+00  0.812534D+01 -0.106010D+01
      4  -0.705665D+01  0.106089D+02 -0.762704D+01  0.664271D+01 -0.122650D+01
      5   0.112331D+02 -0.331639D+01  0.318023D+02 -0.965649D+00 -0.248409D+02
      6   0.392749D+01 -0.111405D+01 -0.164103D+01  0.418283D+01 -0.193797D+01
               106           107           108           109           110 
      1   0.249642D+02  0.139807D+02 -0.195917D+01  0.496773D+02  0.160729D+02
      2  -0.167246D+02 -0.867403D+01  0.100759D+02 -0.307805D+02 -0.977031D+01
      3  -0.823961D+01 -0.530670D+01 -0.811669D+01 -0.188967D+02 -0.630260D+01
      4   0.187647D+02  0.153102D+02 -0.212233D+02  0.196423D+02  0.204183D+02
      5  -0.123283D+02 -0.209130D+02  0.285705D+02 -0.355811D+02 -0.106848D+02
      6  -0.373306D+01 -0.441053D+01  0.402457D+01 -0.443588D+01 -0.429839D+01
               111           112           113           114           115 
      1  -0.241309D+02  0.313574D+02  0.664677D+01 -0.914207D+01 -0.427537D+02
      2   0.176666D+02 -0.178759D+02 -0.246068D+01  0.107150D+02  0.286873D+02
      3   0.646432D+01 -0.134815D+02 -0.418609D+01 -0.157290D+01  0.140664D+02
      4  -0.817441D+01  0.215840D+02  0.347741D+02 -0.163182D+02 -0.100569D+02
      5   0.239540D+02 -0.211523D+02 -0.168914D+02  0.243205D+02  0.433407D+02
      6   0.343944D+01 -0.493034D+01 -0.854317D+01  0.109741D+02  0.171921D+01
               116           117           118           119           120 
      1  -0.372829D+01  0.988231D+01  0.200135D+01 -0.557958D+01  0.148631D+02
      2   0.759993D+01 -0.292014D+02  0.127413D+01  0.186213D+01 -0.616890D+01
      3  -0.387164D+01  0.193191D+02 -0.327548D+01  0.371745D+01 -0.869418D+01
      4  -0.288503D+02  0.205241D+02  0.858547D+00 -0.326524D+01 -0.170574D+02
      5   0.202673D+02 -0.630753D+02  0.200181D+02 -0.135851D+02 -0.779363D+01
      6   0.125085D+02 -0.870643D+01 -0.829571D+01  0.675637D+01  0.423420D+01
               121           122           123           124           125 
      1  -0.108935D+02 -0.124792D+02 -0.124917D+02  0.285398D+02 -0.188938D+02
      2  -0.956453D+00  0.295259D+02  0.604609D+01 -0.100717D+02  0.417363D+01
      3   0.118500D+02 -0.170467D+02  0.644559D+01 -0.184681D+02  0.147202D+02
      4   0.153495D+02 -0.374503D+02  0.142499D+02 -0.321619D+02  0.306946D+02
      5  -0.160606D+02  0.158996D+02  0.342054D+01 -0.111954D+02  0.648525D+01
      6   0.600549D+01 -0.230620D+01  0.443068D+01  0.726556D+01  0.142601D+01
               126           127           128           129           130 
      1  -0.118121D+02  0.201535D+01 -0.360755D+01  0.188523D+01 -0.364768D+00
      2   0.518308D+01  0.303960D+00  0.516138D+01 -0.584534D+00  0.891086D+00
      3   0.662899D+01 -0.231931D+01 -0.155383D+01 -0.130070D+01 -0.526318D+00
      4   0.868144D+01  0.105374D+02  0.927954D+01 -0.686887D+01  0.835525D+01
      5   0.247973D+02 -0.123647D+02 -0.777480D+01  0.101074D+02 -0.992075D+01
      6  -0.989979D+01 -0.830941D+01 -0.750876D+01  0.759084D+01 -0.780125D+01
               131           132           133           134           135 
      1  -0.798568D+01  0.763605D+01  0.414619D+01  0.104649D+02 -0.123873D+02
      2   0.745860D+01 -0.267506D+01 -0.910235D+00 -0.686378D+01  0.181724D+01
      3   0.527079D+00 -0.496099D+01 -0.323595D+01 -0.360117D+01  0.105701D+02
      4   0.987067D+01 -0.697739D+01 -0.749375D+01 -0.764972D+01  0.796916D+01
      5  -0.846790D+01  0.100779D+02  0.108120D+02  0.905514D+01 -0.140899D+02
      6  -0.115050D+02  0.113082D+02  0.882837D+01  0.134962D+02 -0.152561D+02
               136           137           138           139           140 
      1  -0.274789D+01  0.193574D+01 -0.581352D+01  0.318984D+01 -0.735885D+01
      2  -0.321002D+01  0.227973D+00 -0.394037D+01  0.357062D+00  0.209279D+01
      3   0.595791D+01 -0.216371D+01  0.975389D+01 -0.354690D+01  0.526606D+01
      4  -0.470688D+01  0.388119D+01 -0.524031D+01  0.304145D+01 -0.331810D+01
      5   0.866666D+01 -0.371850D+01  0.109024D+02 -0.372870D+01  0.309058D+01
      6  -0.477184D+01  0.340494D+01 -0.514596D+01  0.351416D+01 -0.790386D+01
               141           142           143           144           145 
      1   0.123632D+02 -0.713232D+01  0.119135D+02 -0.267342D+02  0.220786D+01
      2   0.895018D+00 -0.209384D+01 -0.230312D+01 -0.611768D+01 -0.148848D+01
      3  -0.132582D+02  0.922616D+01 -0.961036D+01  0.328518D+02 -0.719386D+00
      4   0.405380D+01 -0.601052D+01  0.646265D+01 -0.931487D+01  0.504185D+01
      5  -0.459835D+01  0.102915D+02 -0.567332D+01  0.153098D+02 -0.885885D+01
      6   0.107951D+02 -0.753376D+01  0.129350D+02 -0.203138D+02 -0.368759D+01
               146           147           148           149           150 
      1  -0.156889D+01  0.134323D+01 -0.162689D+01 -0.510817D+01  0.577213D+01
      2   0.189430D+01  0.990048D+00  0.115811D+00  0.339013D+01 -0.362183D+00
      3  -0.325406D+00 -0.233327D+01  0.151108D+01  0.171803D+01 -0.540995D+01
      4   0.499809D+01 -0.291077D+01  0.473490D+01  0.541755D+01 -0.318889D+01
      5  -0.398828D+01  0.724565D+01 -0.659883D+01 -0.551555D+01  0.746987D+01
      6  -0.333071D+01  0.369904D+01 -0.396309D+01 -0.648578D+01  0.646897D+01
               151           152           153           154           155 
      1   0.262787D+01  0.659177D+01 -0.996155D+01 -0.870637D+00  0.282330D+00
      2   0.101782D+01 -0.306378D+01 -0.124437D+01 -0.411919D+01  0.111284D+01
      3  -0.364569D+01 -0.352798D+01  0.112059D+02  0.498982D+01 -0.139517D+01
      4  -0.433538D+01 -0.425388D+01  0.383303D+01 -0.336526D+01  0.274363D+01
      5   0.891358D+01  0.558747D+01 -0.113197D+02  0.738243D+01 -0.287935D+01
      6   0.514514D+01  0.781340D+01 -0.933742D+01 -0.195785D+01  0.211335D+01
               156           157           158           159           160 
      1  -0.386415D+01  0.266611D+01 -0.536962D+01  0.101155D+02 -0.253833D+01
      2  -0.485376D+01  0.269430D+00  0.670510D+00  0.223312D+01 -0.504114D+01
      3   0.871791D+01 -0.293554D+01  0.469911D+01 -0.123486D+02  0.757946D+01
      4  -0.322449D+01  0.241900D+01 -0.240119D+01  0.328690D+01 -0.472153D+01
      5   0.994773D+01 -0.288294D+01  0.295900D+01 -0.398312D+01  0.100991D+02
      6  -0.147682D+01  0.245090D+01 -0.498230D+01  0.610355D+01 -0.372921D+01
               161           162           163           164           165 
      1   0.695899D+01 -0.219372D+02  0.143109D+02  0.662508D+01 -0.209419D+01
      2   0.517894D+00 -0.998020D+01 -0.121129D+01  0.479793D+00  0.769026D+00
      3  -0.747688D+01  0.319174D+02 -0.130996D+02 -0.710487D+01  0.132516D+01
      4   0.498359D+01 -0.687581D+01  0.140738D+02  0.171487D+02  0.169348D+01
      5  -0.451231D+01  0.154198D+02 -0.160992D+01  0.215143D+01  0.345278D+01
      6   0.795728D+01 -0.109016D+02  0.761021D+00  0.159752D+01  0.876303D+00
               166           167           168           169           170 
      1   0.130353D+02 -0.105170D+02 -0.175840D+00 -0.152013D+02  0.749420D+00
      2   0.330111D+01  0.318128D+02  0.329528D+00  0.479207D+01 -0.338221D+01
      3  -0.163365D+02 -0.212958D+02 -0.153689D+00  0.104093D+02  0.263279D+01
      4   0.280342D+02  0.546285D+02  0.282528D+01 -0.318712D+01 -0.717456D+01
      5   0.329293D+01  0.169649D+01  0.541723D+01  0.515968D+01  0.556179D+01
      6   0.303101D+01  0.672102D+01  0.533639D+01  0.183501D+01  0.512058D+01
               171           172           173           174           175 
      1  -0.135793D+01  0.697572D+01 -0.233876D+01  0.558793D+01 -0.108081D+02
      2   0.107882D+01 -0.771369D+01  0.141126D+01 -0.536866D+01  0.649656D+01
      3   0.279109D+00  0.737965D+00  0.927501D+00 -0.219272D+00  0.431153D+01
      4   0.566935D+01 -0.130288D+01  0.456374D+01  0.236417D+01  0.483882D+01
      5   0.153471D+01  0.105628D+02  0.162382D+01  0.133353D+02 -0.202611D+01
      6  -0.863432D-02  0.983029D+00  0.117716D+01  0.156318D+01  0.963782D+00
               176           177           178           179           180 
      1  -0.332326D+00 -0.263023D+00  0.114900D+02 -0.223231D+01 -0.116377D+02
      2   0.377826D+00  0.226207D+01 -0.117771D+02  0.718266D+00 -0.150469D+02
      3  -0.454991D-01 -0.199905D+01  0.287135D+00  0.151404D+01  0.266846D+02
      4   0.210430D+01  0.441265D+01  0.317196D+01  0.686121D+01  0.465924D+01
      5   0.453653D+01 -0.553074D+01  0.183775D+02  0.448959D+01  0.441528D+02
      6   0.364519D+00  0.386885D+01  0.338568D+01  0.561734D+01  0.105021D+02
               181           182           183           184           185 
      1  -0.401278D+01  0.673322D+01 -0.964614D+01  0.132724D+02 -0.772220D+01
      2  -0.134063D+01 -0.281754D+01  0.302990D+01 -0.649459D+01  0.332759D+01
      3   0.535341D+01 -0.391569D+01  0.661625D+01 -0.677784D+01  0.439461D+01
      4   0.700675D+01 -0.185802D+01 -0.734281D+00 -0.646459D+00 -0.512649D+00
      5  -0.697109D+01 -0.746760D+00 -0.128212D+01  0.374528D+00 -0.683432D+01
      6  -0.226416D+00  0.127728D+00 -0.147023D+00  0.358077D+00 -0.184923D+01
               186           187           188           189           190 
      1   0.161216D+01 -0.174875D+02  0.722200D-02 -0.198420D+02  0.119795D+02
      2   0.493621D+00  0.838045D+01  0.228243D+01 -0.887672D+01 -0.326472D+01
      3  -0.210579D+01  0.910706D+01 -0.228965D+01  0.287187D+02 -0.871474D+01
      4  -0.656836D+01 -0.106045D+01 -0.909577D+01  0.651676D+01  0.153559D+02
      5   0.668134D+01  0.175845D+01  0.643651D+01 -0.532609D+02 -0.585038D+01
      6   0.626462D+01 -0.184295D+00  0.374143D+01 -0.174142D+01 -0.124447D+01
               191           192           193           194           195 
      1   0.139241D+02 -0.558188D+01  0.339473D+02  0.200028D+02 -0.113094D+01
      2  -0.470826D+01  0.247675D+01 -0.116824D+02  0.712946D+01 -0.841446D+00
      3  -0.921586D+01  0.310513D+01 -0.222649D+02 -0.271323D+02  0.197239D+01
      4   0.194149D+02 -0.227862D+01  0.416323D+02  0.863028D+02 -0.122511D+02
      5  -0.232243D+01  0.611427D+01 -0.499901D+01 -0.136903D+02  0.137412D+02
      6  -0.567627D+00  0.529086D+00 -0.215671D+01 -0.458660D+01  0.578842D+01
               196           197           198           199           200 
      1  -0.123370D+02 -0.169717D+01  0.713029D+01  0.201794D+02 -0.415710D+01
      2   0.561042D+01 -0.789974D+00 -0.369907D+01 -0.132223D+02  0.258431D+01
      3   0.672655D+01  0.248714D+01 -0.343121D+01 -0.695712D+01  0.157279D+01
      4  -0.601023D+01 -0.158523D+02  0.100161D+02 -0.370315D+01  0.561938D+01
      5   0.129168D+02  0.108206D+02 -0.316384D+01  0.169127D+02  0.216623D+00
      6   0.213086D+01  0.584415D+01 -0.255824D+01  0.490490D+00  0.102091D+00
               201           202           203           204           205 
      1   0.153972D+02 -0.124037D+02  0.610432D+01 -0.124926D+01  0.412240D+02
      2  -0.969252D+01  0.735407D+01 -0.269903D+01  0.145396D+01 -0.260076D+02
      3  -0.570467D+01  0.504962D+01 -0.340529D+01 -0.204706D+00 -0.152164D+02
      4   0.401019D+00  0.108808D+02  0.230376D+01  0.713051D+01  0.259075D+01
      5   0.213132D+02 -0.304985D+01  0.671072D+01 -0.825356D+01  0.419683D+02
      6   0.921856D+00  0.146319D+01 -0.991642D+00  0.374699D+01  0.110966D+01
               206           207           208           209           210 
      1   0.264857D+01  0.247932D+02  0.901446D+02 -0.249704D+02 -0.286428D+02
      2  -0.901729D+00 -0.257205D+02 -0.471884D+02  0.129784D+02  0.158182D+02
      3  -0.174685D+01  0.927294D+00 -0.429562D+02  0.119920D+02  0.128246D+02
      4   0.132735D+02 -0.305085D+01 -0.255700D+02  0.200740D+02  0.899459D+01
      5  -0.221676D+01  0.741897D+02 -0.326435D+02  0.967196D+01  0.247608D+02
      6   0.419401D+01  0.306882D+01  0.142919D+01 -0.968163D+00 -0.416352D+00
               211           212           213           214           215 
      1  -0.555953D+02  0.217151D+02  0.129902D+02 -0.535355D+02  0.102941D+02
      2   0.284587D+02 -0.859290D+01 -0.743628D+01  0.295245D+02 -0.624193D+01
      3   0.271366D+02 -0.131222D+02 -0.555395D+01  0.240110D+02 -0.405215D+01
      4   0.288096D+02 -0.181702D+02 -0.133787D+02  0.123982D+02 -0.171803D+02
      5   0.169726D+02 -0.138113D+02 -0.170091D+02  0.359985D+02 -0.120696D+02
      6  -0.244795D+01  0.222357D+01  0.245564D+01 -0.155394D+01  0.282448D+01
               216           217           218           219           220 
      1   0.263826D+02  0.317103D+02 -0.169320D+02 -0.118195D+02 -0.156723D+02
      2  -0.179162D+02 -0.784948D+01 -0.167886D+01  0.381320D+01 -0.147861D+01
      3  -0.846634D+01 -0.238608D+02  0.186109D+02  0.800626D+01  0.171509D+02
      4  -0.115134D+02 -0.376959D+02  0.367928D+02  0.142040D+02  0.336908D+02
      5  -0.228727D+02 -0.177044D+02  0.112726D+02  0.151794D+02  0.108577D+02
      6   0.222843D+01  0.871746D+01 -0.674254D+01 -0.817470D+01 -0.704678D+01
               221           222           223           224           225 
      1   0.945128D+01  0.309405D+01 -0.189424D+02  0.472001D+01  0.716999D+01
      2   0.101894D+02  0.353110D+01  0.642153D+01  0.507369D+01 -0.252464D+01
      3  -0.196406D+02 -0.662515D+01  0.125209D+02 -0.979370D+01 -0.464535D+01
      4  -0.395324D+02 -0.163529D+02  0.222505D+02 -0.272020D+02 -0.197314D+02
      5  -0.151538D+02 -0.126216D+02  0.190089D+02 -0.172904D+02 -0.162745D+02
      6   0.106578D+02  0.920843D+01 -0.966201D+01  0.114492D+02  0.938225D+01
               226           227           228           229           230 
      1   0.300716D+01 -0.517267D+01  0.626417D+01 -0.304014D+01 -0.108091D+01
      2  -0.117810D+01  0.964435D+00 -0.396688D+01 -0.126743D+00  0.289500D+01
      3  -0.182906D+01  0.420824D+01 -0.229729D+01  0.316688D+01 -0.181408D+01
      4  -0.837404D+01  0.952806D+01 -0.449715D+01  0.771161D+01 -0.903376D+01
      5   0.821459D+01 -0.294586D+01  0.115344D+02 -0.166277D+01  0.802678D+01
      6  -0.292663D+01  0.132324D+01 -0.410852D+01  0.182286D+01 -0.560195D+01
               231           232           233           234           235 
      1   0.336302D+01  0.120335D+02  0.553468D+01 -0.426166D+01 -0.540379D+02
      2  -0.390801D+01 -0.677436D+01 -0.693440D+01 -0.474320D+01  0.307073D+02
      3   0.544993D+00 -0.525912D+01  0.139972D+01  0.900486D+01  0.233306D+02
      4   0.832384D+01 -0.999427D+01  0.197755D+02 -0.205712D+02  0.897324D+01
      5  -0.874364D+01  0.156681D+02 -0.180289D+02  0.477209D+02 -0.472514D+01
      6   0.973329D+01 -0.670050D+01  0.133957D+02 -0.252143D+02  0.430667D+01
               236           237           238           239           240 
      1  -0.197542D+02 -0.929517D+01 -0.142673D+02 -0.145120D+02 -0.303517D+01
      2   0.178246D+02  0.511321D+01  0.122781D+02  0.131760D+02  0.305825D+01
      3   0.192966D+01  0.418197D+01  0.198920D+01  0.133606D+01 -0.230733D-01
      4  -0.808079D+01  0.184626D+01  0.618596D-01 -0.197331D+01 -0.163235D+01
      5  -0.718218D+00 -0.270653D+01 -0.749047D+00 -0.238675D+01 -0.287146D+01
      6   0.225121D+01  0.400622D+01  0.137290D+01  0.213607D+01  0.344438D+01
               241           242           243           244           245 
      1  -0.955534D+01 -0.439163D+01 -0.688166D+01  0.143946D+01 -0.563910D+01
      2   0.453203D+01  0.403702D+01  0.335450D+01 -0.554991D+01  0.405509D+01
      3   0.502330D+01  0.354616D+00  0.352715D+01  0.411045D+01  0.158401D+01
      4   0.206804D+01 -0.429661D+01 -0.398877D+01 -0.696818D+01  0.521233D+01
      5   0.480656D+00 -0.495271D+01  0.914408D+00  0.109481D+02 -0.295686D+01
      6   0.232857D+01  0.458906D+01  0.867134D+00 -0.351226D+01  0.125596D+01
               246           247           248           249           250 
      1   0.493042D+01 -0.823269D+01 -0.776860D+00  0.347789D+01  0.580143D+01
      2  -0.519121D+01  0.558736D+01 -0.199568D+01  0.331931D+01 -0.791681D+01
      3   0.260795D+00  0.264533D+01  0.277254D+01 -0.679720D+01  0.211537D+01
      4  -0.252613D+01  0.810595D+01 -0.956828D+01  0.940904D+01 -0.315346D+01
      5   0.117621D+02 -0.434922D+01  0.990154D+01 -0.134610D+02  0.170930D+02
      6  -0.995568D+00  0.293127D+01 -0.578880D+01  0.734876D+01 -0.180495D+01
               251           252           253           254           255 
      1   0.154510D+01 -0.549175D+01 -0.391326D+02 -0.312153D+02 -0.317851D+02
      2   0.475236D+01 -0.145673D+02  0.201053D+02  0.176798D+02  0.116026D+02
      3  -0.629747D+01  0.200590D+02  0.190272D+02  0.135354D+02  0.201825D+02
      4   0.116502D+02 -0.104771D+02 -0.403945D+02 -0.542803D+01 -0.108634D+02
      5  -0.103151D+02  0.343907D+02 -0.371078D+02 -0.694104D+01  0.193260D+01
      6   0.669184D+01 -0.620141D+01 -0.186772D+02  0.258484D+01  0.914199D+01
               256           257           258           259           260 
      1  -0.186434D+02 -0.802030D+00 -0.811665D+00 -0.300774D+02  0.377861D-01
      2   0.184122D+02  0.106744D+02  0.136035D+02  0.117337D+02  0.123998D+02
      3   0.231253D+00 -0.987237D+01 -0.127918D+02  0.183437D+02 -0.124375D+02
      4   0.124242D+02  0.242913D+02  0.142286D+02 -0.766633D+01  0.984634D+01
      5   0.275646D+00  0.150684D+02 -0.104483D+02  0.487300D+01 -0.157505D+02
      6   0.880480D+01  0.126110D+02 -0.641740D+01  0.755629D+01 -0.130018D+02
               261           262           263           264           265 
      1   0.219895D+02  0.303770D+02 -0.175430D+02 -0.138608D+02 -0.101310D+02
      2  -0.196564D+02 -0.125108D+02  0.545314D+01  0.625454D+01  0.123615D+01
      3  -0.233313D+01 -0.178662D+02  0.120898D+02  0.760621D+01  0.889488D+01
      4  -0.955308D+01 -0.294145D+02  0.243087D+02  0.136894D+02  0.192526D+02
      5   0.650886D+01 -0.188427D+02  0.121598D+02  0.153035D+02  0.843910D+01
      6  -0.350062D+01  0.797241D+01 -0.577656D+01 -0.548454D+01 -0.453579D+01
               266           267           268           269           270 
      1   0.690219D+01  0.339207D+01 -0.235890D+02  0.133444D+02  0.134212D+02
      2   0.287335D+01  0.347175D+00  0.111470D+02 -0.379074D+01 -0.770149D+01
      3  -0.977554D+01 -0.373925D+01  0.124420D+02 -0.955367D+01 -0.571968D+01
      4  -0.255795D+02 -0.105277D+02  0.286287D+02 -0.292623D+02 -0.230753D+02
      5  -0.957204D+01 -0.953454D+01  0.265384D+02 -0.210146D+02 -0.264769D+02
      6   0.674446D+01  0.542458D+01 -0.111524D+02  0.113973D+02  0.122061D+02
               271           272           273           274           275 
      1  -0.125981D+02  0.171499D+02  0.196584D+02  0.820127D+01 -0.152849D+02
      2   0.504657D+01 -0.123224D+02 -0.651945D+01 -0.608427D+01  0.117076D+02
      3   0.755150D+01 -0.482757D+01 -0.131390D+02 -0.211700D+01  0.357736D+01
      4  -0.137482D+01 -0.355734D+01  0.941515D+00  0.117591D+01  0.309469D+01
      5   0.280068D+01 -0.266623D+01 -0.493889D+01  0.149903D+00  0.322817D+01
      6   0.834894D+01 -0.103949D+02 -0.127276D+02 -0.454678D+01  0.109526D+02
               276           277           278           279           280 
      1  -0.110880D+02  0.161446D+02 -0.163827D+02 -0.270464D+02  0.132951D+01
      2   0.642387D+01 -0.570620D+01  0.871643D+01  0.577708D+01  0.146314D+01
      3   0.466411D+01 -0.104384D+02  0.766624D+01  0.212694D+02 -0.279265D+01
      4   0.271467D+01  0.575136D+01  0.735921D+01  0.589939D+01  0.446843D+01
      5   0.586741D+01  0.138174D+01  0.105653D+02  0.152510D+02 -0.328533D+00
      6   0.122646D+02 -0.560330D+01  0.173755D+02  0.221130D+02 -0.103055D+01
               281           282           283           284           285 
      1   0.823553D+01 -0.921393D+00  0.615878D+01 -0.115514D+02  0.457483D+01
      2  -0.699474D+01  0.161109D+01 -0.306941D+01  0.214681D+02 -0.116607D+02
      3  -0.124080D+01 -0.689702D+00 -0.308938D+01 -0.991672D+01  0.708588D+01
      4   0.103610D+01 -0.448451D+00  0.492393D+01  0.145821D+02 -0.811368D+01
      5   0.147991D+01 -0.965828D+00  0.334623D+00 -0.997685D+01  0.986877D+01
      6  -0.120648D-01 -0.268419D+01 -0.456235D+00 -0.682965D+01  0.886284D+01
               286           287           288           289           290 
      1  -0.589375D+01  0.895690D+01 -0.830103D+01  0.750049D+02  0.179332D+02
      2   0.207053D+01 -0.193801D+02  0.120163D+02 -0.343713D+02 -0.180299D+01
      3   0.382322D+01  0.104232D+02 -0.371532D+01 -0.406336D+02 -0.161302D+02
      4  -0.696536D+01 -0.183688D+02  0.686723D+01  0.546261D+02  0.308133D+02
      5  -0.100617D+01  0.936724D+01 -0.175716D+02  0.410036D+02  0.143542D+02
      6  -0.198994D+01  0.760472D+01 -0.129589D+02  0.159569D+02  0.970325D+01
               291           292           293           294           295 
      1   0.166853D+02  0.909864D+01  0.810250D+01  0.169472D+01  0.147706D+02
      2  -0.102628D+02  0.781600D+00  0.985639D-01 -0.575847D+00 -0.993720D+01
      3  -0.642250D+01 -0.988024D+01 -0.820106D+01 -0.111887D+01 -0.483343D+01
      4   0.156300D+02  0.206013D+02  0.133709D+02  0.489154D+01  0.135968D+02
      5   0.212616D+02  0.699610D+01  0.595396D+01  0.498473D+01  0.210822D+02
      6   0.909756D+01  0.588663D+01  0.402045D+01  0.495641D+01  0.808184D+01
               296           297 
      1   0.244871D+01  0.663761D+01
      2  -0.166436D+01 -0.491409D+01
      3  -0.784354D+00 -0.172352D+01
      4   0.746450D+01  0.103615D+02
      5   0.930320D+01  0.135694D+02
      6   0.710965D+01  0.679543D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 11:08:15 2021, MaxMem=  6442450944 cpu:           33562.5 elap:            4205.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31873 -19.26149 -10.44057 -10.32583 -10.31559
 Alpha  occ. eigenvalues --  -10.30899 -10.30435 -10.30372 -10.30195 -10.30165
 Alpha  occ. eigenvalues --  -10.30098 -10.29746 -10.29572 -10.28657 -10.28265
 Alpha  occ. eigenvalues --   -1.20938  -1.11650  -0.96765  -0.92110  -0.89536
 Alpha  occ. eigenvalues --   -0.84362  -0.84013  -0.77902  -0.77611  -0.76463
 Alpha  occ. eigenvalues --   -0.70861  -0.69526  -0.66523  -0.65134  -0.60894
 Alpha  occ. eigenvalues --   -0.59671  -0.57962  -0.56817  -0.55157  -0.54020
 Alpha  occ. eigenvalues --   -0.53438  -0.53030  -0.51877  -0.50965  -0.50625
 Alpha  occ. eigenvalues --   -0.49747  -0.47737  -0.46961  -0.46523  -0.45458
 Alpha  occ. eigenvalues --   -0.45041  -0.44793  -0.43332  -0.42359  -0.41840
 Alpha  occ. eigenvalues --   -0.41484  -0.40806  -0.40457  -0.37289  -0.33582
 Alpha  occ. eigenvalues --   -0.31843
 Alpha virt. eigenvalues --    0.04552   0.04971   0.07648   0.08143   0.08781
 Alpha virt. eigenvalues --    0.09957   0.10496   0.11229   0.11942   0.12423
 Alpha virt. eigenvalues --    0.13436   0.13887   0.15116   0.15470   0.15939
 Alpha virt. eigenvalues --    0.16227   0.16661   0.17072   0.17731   0.18540
 Alpha virt. eigenvalues --    0.19080   0.19588   0.20333   0.20558   0.20838
 Alpha virt. eigenvalues --    0.21037   0.21675   0.21862   0.22157   0.22323
 Alpha virt. eigenvalues --    0.23124   0.23536   0.24177   0.24903   0.25297
 Alpha virt. eigenvalues --    0.25433   0.25883   0.26193   0.26999   0.27482
 Alpha virt. eigenvalues --    0.28690   0.28978   0.29356   0.29625   0.30278
 Alpha virt. eigenvalues --    0.30695   0.31412   0.31633   0.32148   0.32238
 Alpha virt. eigenvalues --    0.33393   0.33605   0.34414   0.34620   0.34870
 Alpha virt. eigenvalues --    0.35654   0.36063   0.36172   0.37011   0.37475
 Alpha virt. eigenvalues --    0.37655   0.38207   0.38597   0.39035   0.39120
 Alpha virt. eigenvalues --    0.39378   0.39572   0.39898   0.40327   0.40650
 Alpha virt. eigenvalues --    0.41185   0.41360   0.42007   0.42310   0.42547
 Alpha virt. eigenvalues --    0.42932   0.43233   0.43338   0.43791   0.44200
 Alpha virt. eigenvalues --    0.44444   0.44892   0.45037   0.45298   0.45710
 Alpha virt. eigenvalues --    0.46017   0.46146   0.46726   0.46900   0.47393
 Alpha virt. eigenvalues --    0.47587   0.47931   0.48405   0.48895   0.49113
 Alpha virt. eigenvalues --    0.49675   0.50442   0.50699   0.50930   0.51377
 Alpha virt. eigenvalues --    0.51833   0.52133   0.52277   0.52980   0.53383
 Alpha virt. eigenvalues --    0.53832   0.53896   0.54189   0.54333   0.54919
 Alpha virt. eigenvalues --    0.55118   0.55686   0.56081   0.56950   0.57308
 Alpha virt. eigenvalues --    0.57540   0.57913   0.58464   0.58618   0.59248
 Alpha virt. eigenvalues --    0.59372   0.60038   0.60189   0.60875   0.61496
 Alpha virt. eigenvalues --    0.61763   0.62212   0.62632   0.62755   0.63259
 Alpha virt. eigenvalues --    0.63854   0.63945   0.64695   0.65150   0.65732
 Alpha virt. eigenvalues --    0.66137   0.66384   0.67121   0.67262   0.67898
 Alpha virt. eigenvalues --    0.68209   0.68607   0.68940   0.69744   0.70469
 Alpha virt. eigenvalues --    0.70843   0.71554   0.71758   0.72136   0.72617
 Alpha virt. eigenvalues --    0.72779   0.73138   0.74579   0.74883   0.75626
 Alpha virt. eigenvalues --    0.75996   0.76230   0.77460   0.77811   0.77994
 Alpha virt. eigenvalues --    0.79116   0.79577   0.80303   0.80922   0.81768
 Alpha virt. eigenvalues --    0.81841   0.82406   0.82897   0.83533   0.83820
 Alpha virt. eigenvalues --    0.84556   0.85919   0.86178   0.87349   0.87645
 Alpha virt. eigenvalues --    0.88837   0.90648   0.90843   0.91391   0.92152
 Alpha virt. eigenvalues --    0.92447   0.93130   0.94668   0.94964   0.96748
 Alpha virt. eigenvalues --    0.97440   0.97880   0.99469   1.00666   1.01285
 Alpha virt. eigenvalues --    1.02317   1.03152   1.03913   1.06185   1.06318
 Alpha virt. eigenvalues --    1.07410   1.07756   1.08080   1.09538   1.09780
 Alpha virt. eigenvalues --    1.10446   1.11254   1.11471   1.12154   1.12293
 Alpha virt. eigenvalues --    1.13707   1.14053   1.14359   1.15064   1.15421
 Alpha virt. eigenvalues --    1.16938   1.17701   1.17956   1.18484   1.20397
 Alpha virt. eigenvalues --    1.21891   1.24291   1.25046   1.25691   1.27145
 Alpha virt. eigenvalues --    1.28237   1.28437   1.28827   1.29389   1.30619
 Alpha virt. eigenvalues --    1.32374   1.32907   1.33513   1.34393   1.36204
 Alpha virt. eigenvalues --    1.37003   1.38205   1.38396   1.39886   1.40577
 Alpha virt. eigenvalues --    1.41717   1.41968   1.43065   1.44313   1.44992
 Alpha virt. eigenvalues --    1.46156   1.47789   1.48418   1.49190   1.50825
 Alpha virt. eigenvalues --    1.52509   1.53345   1.55199   1.55404   1.56313
 Alpha virt. eigenvalues --    1.58720   1.60592   1.61155   1.63073   1.63781
 Alpha virt. eigenvalues --    1.66352   1.67950   1.68566   1.69292   1.70462
 Alpha virt. eigenvalues --    1.72576   1.73658   1.75058   1.75440   1.76663
 Alpha virt. eigenvalues --    1.77146   1.78836   1.80301   1.82022   1.82823
 Alpha virt. eigenvalues --    1.83311   1.84480   1.85164   1.85862   1.86887
 Alpha virt. eigenvalues --    1.88324   1.89784   1.90230   1.91505   1.92999
 Alpha virt. eigenvalues --    1.93827   1.94455   1.95032   1.96221   1.97466
 Alpha virt. eigenvalues --    1.98617   1.98996   1.99580   2.00069   2.01444
 Alpha virt. eigenvalues --    2.02944   2.03446   2.04755   2.05117   2.05364
 Alpha virt. eigenvalues --    2.07191   2.09402   2.10438   2.11024   2.11472
 Alpha virt. eigenvalues --    2.12188   2.14152   2.14780   2.15426   2.16747
 Alpha virt. eigenvalues --    2.17511   2.18273   2.19032   2.19543   2.20572
 Alpha virt. eigenvalues --    2.21580   2.22009   2.22959   2.24812   2.25928
 Alpha virt. eigenvalues --    2.26279   2.28239   2.28857   2.29812   2.30376
 Alpha virt. eigenvalues --    2.32055   2.32577   2.33204   2.34923   2.36605
 Alpha virt. eigenvalues --    2.37239   2.39669   2.40369   2.40982   2.44043
 Alpha virt. eigenvalues --    2.45236   2.46812   2.48789   2.50311   2.51755
 Alpha virt. eigenvalues --    2.52377   2.53161   2.54814   2.55987   2.56827
 Alpha virt. eigenvalues --    2.60434   2.61436   2.62285   2.64938   2.65497
 Alpha virt. eigenvalues --    2.65835   2.69210   2.69810   2.71274   2.73372
 Alpha virt. eigenvalues --    2.74471   2.75743   2.76398   2.78150   2.78428
 Alpha virt. eigenvalues --    2.78813   2.81027   2.82443   2.82818   2.90445
 Alpha virt. eigenvalues --    2.93464   2.95179   2.95926   2.98499   3.02278
 Alpha virt. eigenvalues --    3.03090   3.03633   3.05311   3.08284   3.09472
 Alpha virt. eigenvalues --    3.10926   3.12606   3.13811   3.14041   3.16033
 Alpha virt. eigenvalues --    3.16827   3.19418   3.22272   3.23213   3.24912
 Alpha virt. eigenvalues --    3.25902   3.26656   3.28198   3.30148   3.31608
 Alpha virt. eigenvalues --    3.32854   3.35593   3.36893   3.45674   3.47909
 Alpha virt. eigenvalues --    3.72151   3.75927   3.91552   4.04427
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.876858  -1.505801  -1.333903   0.901974   0.215134  -0.005508
     2  C   -1.505801  12.191015   0.718813  -0.847056   0.589331  -1.034154
     3  C   -1.333903   0.718813   9.400962  -1.341455  -0.197682   0.244395
     4  C    0.901974  -0.847056  -1.341455  12.111381  -1.274874   0.559988
     5  C    0.215134   0.589331  -0.197682  -1.274874   8.790651  -1.150491
     6  C   -0.005508  -1.034154   0.244395   0.559988  -1.150491   8.449650
     7  C   -0.959505   0.198968   0.025542   0.149200  -0.005471  -0.915515
     8  C    0.008473  -0.003186   0.002026  -0.000539  -0.007517   0.000104
     9  C   -0.000604  -0.016908  -0.001060  -0.000054   0.000399  -0.009756
    10  C   -0.005681  -0.054737   0.003395  -0.004049  -0.005894   0.029850
    11  C    0.034748   0.121462  -1.047329   0.409731  -0.868511   0.004197
    12  C   -0.009222   0.019754  -0.106257  -0.037625  -0.168090   0.002441
    13  O    0.002134  -0.003110   0.017900  -0.032762   0.013884   0.008401
    14  O    0.000737  -0.001397   0.003447   0.003030  -0.000052   0.001586
    15  H    0.550107  -1.309939  -0.677905  -0.038627   0.143674   0.064385
    16  H   -0.515585  -0.084081   0.471508  -1.432908   0.115783   0.142086
    17  H    0.116026  -0.066744   0.072183  -1.435116   0.531014  -0.477358
    18  H    0.104114  -1.369047   0.129437  -0.014888  -0.627979   0.447095
    19  H    0.006857  -0.069932  -0.002857  -0.008364  -0.001868   0.102438
    20  H    0.057525  -0.144546   0.007319   0.008253   0.032576  -0.091277
    21  H   -0.097624  -0.000056   0.006905  -0.000554   0.000473  -0.038278
    22  H    0.000838   0.001557  -0.000219  -0.000021   0.000079  -0.002119
    23  H   -0.002351   0.004193   0.000060  -0.000031  -0.000138   0.001101
    24  H    0.001340   0.004428  -0.000030  -0.000011  -0.000012   0.001201
    25  H   -0.008112   0.009186   0.000051   0.000431   0.001619  -0.010947
    26  H   -0.000237  -0.025474  -0.000306   0.000187   0.000432   0.005500
    27  H    0.022529   0.018775   0.002501  -0.003895  -0.002481   0.010275
    28  H    0.016520  -0.003324  -0.062597  -0.243425   0.096740   0.015095
    29  C    0.002697   0.001041  -0.027250   0.015696  -0.065321  -0.009220
    30  H   -0.000301  -0.000099   0.001048  -0.002715  -0.000730  -0.000412
    31  H   -0.003375  -0.000622   0.032282  -0.032152   0.001192   0.000267
    32  H   -0.000257   0.000771  -0.004781  -0.006546  -0.019594   0.006425
    33  H   -0.000169   0.000381  -0.010904  -0.018278   0.000037  -0.001081
               7          8          9         10         11         12
     1  C   -0.959505   0.008473  -0.000604  -0.005681   0.034748  -0.009222
     2  C    0.198968  -0.003186  -0.016908  -0.054737   0.121462   0.019754
     3  C    0.025542   0.002026  -0.001060   0.003395  -1.047329  -0.106257
     4  C    0.149200  -0.000539  -0.000054  -0.004049   0.409731  -0.037625
     5  C   -0.005471  -0.007517   0.000399  -0.005894  -0.868511  -0.168090
     6  C   -0.915515   0.000104  -0.009756   0.029850   0.004197   0.002441
     7  C    6.959006   0.189021  -0.012336  -0.055725  -0.003022  -0.000393
     8  C    0.189021   5.971763   0.341508   0.432058  -0.000591   0.000035
     9  C   -0.012336   0.341508   4.301747  -0.040132   0.000007  -0.000000
    10  C   -0.055725   0.432058  -0.040132   4.147999   0.000077   0.000006
    11  C   -0.003022  -0.000591   0.000007   0.000077   7.591241   0.407121
    12  C   -0.000393   0.000035  -0.000000   0.000006   0.407121   4.888830
    13  O    0.000007   0.000000  -0.000000  -0.000007  -0.120293   0.213286
    14  O    0.000025   0.000021  -0.000000  -0.000001  -0.066188  -0.027052
    15  H   -0.431900   0.006452   0.004486   0.000159   0.019818   0.001927
    16  H    0.014920   0.000527  -0.000087  -0.000403  -0.418028  -0.060590
    17  H    0.011068  -0.000022   0.000034  -0.001755  -0.310514  -0.036845
    18  H   -0.355438  -0.003343  -0.003699   0.028996   0.001263   0.006823
    19  H    0.068998   0.049209  -0.082082   0.010451  -0.000165   0.000036
    20  H    0.157178   0.029263   0.012793  -0.013360  -0.000082   0.000028
    21  H    0.089312   0.125640  -0.046632   0.013736  -0.000062   0.000004
    22  H   -0.006750  -0.025193   0.395759   0.004547   0.000001  -0.000000
    23  H   -0.001574   0.165776   0.125377  -0.007460  -0.000000   0.000000
    24  H    0.007888   0.133156   0.204136  -0.013863  -0.000001   0.000000
    25  H    0.046092   0.108264  -0.009416   0.191417   0.000021  -0.000002
    26  H   -0.029793   0.108361  -0.006578   0.202525   0.000037  -0.000003
    27  H   -0.112734   0.125329   0.005282   0.248952  -0.000167   0.000012
    28  H    0.000053  -0.000026  -0.000000   0.000003   0.145016  -0.157758
    29  C   -0.000175   0.000091  -0.000001   0.000003   0.365501   0.005383
    30  H    0.000000  -0.000000   0.000000   0.000000   0.015988   0.129633
    31  H    0.000025   0.000002  -0.000000   0.000006   0.113449   0.009826
    32  H   -0.000031  -0.000000   0.000000   0.000007   0.094188  -0.000676
    33  H   -0.000004  -0.000000   0.000000   0.000000   0.164047  -0.005813
              13         14         15         16         17         18
     1  C    0.002134   0.000737   0.550107  -0.515585   0.116026   0.104114
     2  C   -0.003110  -0.001397  -1.309939  -0.084081  -0.066744  -1.369047
     3  C    0.017900   0.003447  -0.677905   0.471508   0.072183   0.129437
     4  C   -0.032762   0.003030  -0.038627  -1.432908  -1.435116  -0.014888
     5  C    0.013884  -0.000052   0.143674   0.115783   0.531014  -0.627979
     6  C    0.008401   0.001586   0.064385   0.142086  -0.477358   0.447095
     7  C    0.000007   0.000025  -0.431900   0.014920   0.011068  -0.355438
     8  C    0.000000   0.000021   0.006452   0.000527  -0.000022  -0.003343
     9  C   -0.000000  -0.000000   0.004486  -0.000087   0.000034  -0.003699
    10  C   -0.000007  -0.000001   0.000159  -0.000403  -0.001755   0.028996
    11  C   -0.120293  -0.066188   0.019818  -0.418028  -0.310514   0.001263
    12  C    0.213286  -0.027052   0.001927  -0.060590  -0.036845   0.006823
    13  O    8.418197  -0.002405  -0.000117   0.006290   0.022525  -0.000639
    14  O   -0.002405   8.375269   0.000271  -0.005025   0.004093  -0.000339
    15  H   -0.000117   0.000271   3.037425  -0.798223  -0.017900   0.058473
    16  H    0.006290  -0.005025  -0.798223   2.815261   0.054066  -0.020528
    17  H    0.022525   0.004093  -0.017900   0.054066   2.759074  -0.759664
    18  H   -0.000639  -0.000339   0.058473  -0.020528  -0.759664   2.976903
    19  H   -0.000002  -0.000003   0.016911  -0.001946  -0.000251   0.016622
    20  H   -0.000003  -0.000003   0.015584   0.000397   0.002641  -0.051390
    21  H    0.000000   0.000003  -0.075705   0.001260   0.000473  -0.010644
    22  H   -0.000000  -0.000000   0.001470  -0.000008  -0.000001  -0.000161
    23  H   -0.000000  -0.000000  -0.000687   0.000001  -0.000000   0.000280
    24  H   -0.000000  -0.000000   0.000811  -0.000003  -0.000001   0.000232
    25  H    0.000000   0.000000  -0.001259   0.000041   0.000094  -0.004630
    26  H    0.000001  -0.000000   0.000288  -0.000018   0.000109  -0.005087
    27  H    0.000001   0.000005   0.005971  -0.000215   0.000132   0.008708
    28  H    0.006696  -0.064756  -0.001779   0.040716   0.013664  -0.000302
    29  C    0.004442   0.024236   0.001134  -0.039673   0.002440   0.000222
    30  H   -0.059732   0.150583  -0.000020   0.000476   0.000298  -0.000007
    31  H    0.003968  -0.000573  -0.000677   0.013915  -0.009060   0.000302
    32  H    0.012247  -0.000057   0.000126  -0.001690  -0.008617   0.000996
    33  H   -0.002596   0.003813   0.000039  -0.004437   0.004377  -0.000064
              19         20         21         22         23         24
     1  C    0.006857   0.057525  -0.097624   0.000838  -0.002351   0.001340
     2  C   -0.069932  -0.144546  -0.000056   0.001557   0.004193   0.004428
     3  C   -0.002857   0.007319   0.006905  -0.000219   0.000060  -0.000030
     4  C   -0.008364   0.008253  -0.000554  -0.000021  -0.000031  -0.000011
     5  C   -0.001868   0.032576   0.000473   0.000079  -0.000138  -0.000012
     6  C    0.102438  -0.091277  -0.038278  -0.002119   0.001101   0.001201
     7  C    0.068998   0.157178   0.089312  -0.006750  -0.001574   0.007888
     8  C    0.049209   0.029263   0.125640  -0.025193   0.165776   0.133156
     9  C   -0.082082   0.012793  -0.046632   0.395759   0.125377   0.204136
    10  C    0.010451  -0.013360   0.013736   0.004547  -0.007460  -0.013863
    11  C   -0.000165  -0.000082  -0.000062   0.000001  -0.000000  -0.000001
    12  C    0.000036   0.000028   0.000004  -0.000000   0.000000   0.000000
    13  O   -0.000002  -0.000003   0.000000  -0.000000  -0.000000  -0.000000
    14  O   -0.000003  -0.000003   0.000003  -0.000000  -0.000000  -0.000000
    15  H    0.016911   0.015584  -0.075705   0.001470  -0.000687   0.000811
    16  H   -0.001946   0.000397   0.001260  -0.000008   0.000001  -0.000003
    17  H   -0.000251   0.002641   0.000473  -0.000001  -0.000000  -0.000001
    18  H    0.016622  -0.051390  -0.010644  -0.000161   0.000280   0.000232
    19  H    1.018486  -0.268548   0.082675  -0.026271   0.006805   0.008588
    20  H   -0.268548   1.053699  -0.032161   0.002683  -0.036484   0.001107
    21  H    0.082675  -0.032161   1.209916  -0.010153  -0.002310   0.025536
    22  H   -0.026271   0.002683  -0.010153   0.726126  -0.084123  -0.024332
    23  H    0.006805  -0.036484  -0.002310  -0.084123   0.732218  -0.004721
    24  H    0.008588   0.001107   0.025536  -0.024332  -0.004721   0.709363
    25  H   -0.002161  -0.001048   0.051171   0.007411  -0.017321   0.009972
    26  H   -0.007903   0.037421  -0.014266  -0.002130   0.011152  -0.009653
    27  H   -0.002208  -0.003629  -0.036584  -0.002087  -0.000392   0.002386
    28  H   -0.000009   0.000009   0.000006  -0.000000  -0.000000  -0.000000
    29  C    0.000011  -0.000029  -0.000001  -0.000000   0.000000   0.000000
    30  H    0.000000  -0.000000  -0.000000   0.000000   0.000000   0.000000
    31  H    0.000001   0.000002   0.000007  -0.000000  -0.000000  -0.000000
    32  H   -0.000000  -0.000001  -0.000000   0.000000   0.000000   0.000000
    33  H   -0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
              25         26         27         28         29         30
     1  C   -0.008112  -0.000237   0.022529   0.016520   0.002697  -0.000301
     2  C    0.009186  -0.025474   0.018775  -0.003324   0.001041  -0.000099
     3  C    0.000051  -0.000306   0.002501  -0.062597  -0.027250   0.001048
     4  C    0.000431   0.000187  -0.003895  -0.243425   0.015696  -0.002715
     5  C    0.001619   0.000432  -0.002481   0.096740  -0.065321  -0.000730
     6  C   -0.010947   0.005500   0.010275   0.015095  -0.009220  -0.000412
     7  C    0.046092  -0.029793  -0.112734   0.000053  -0.000175   0.000000
     8  C    0.108264   0.108361   0.125329  -0.000026   0.000091  -0.000000
     9  C   -0.009416  -0.006578   0.005282  -0.000000  -0.000001   0.000000
    10  C    0.191417   0.202525   0.248952   0.000003   0.000003   0.000000
    11  C    0.000021   0.000037  -0.000167   0.145016   0.365501   0.015988
    12  C   -0.000002  -0.000003   0.000012  -0.157758   0.005383   0.129633
    13  O    0.000000   0.000001   0.000001   0.006696   0.004442  -0.059732
    14  O    0.000000  -0.000000   0.000005  -0.064756   0.024236   0.150583
    15  H   -0.001259   0.000288   0.005971  -0.001779   0.001134  -0.000020
    16  H    0.000041  -0.000018  -0.000215   0.040716  -0.039673   0.000476
    17  H    0.000094   0.000109   0.000132   0.013664   0.002440   0.000298
    18  H   -0.004630  -0.005087   0.008708  -0.000302   0.000222  -0.000007
    19  H   -0.002161  -0.007903  -0.002208  -0.000009   0.000011   0.000000
    20  H   -0.001048   0.037421  -0.003629   0.000009  -0.000029  -0.000000
    21  H    0.051171  -0.014266  -0.036584   0.000006  -0.000001  -0.000000
    22  H    0.007411  -0.002130  -0.002087  -0.000000  -0.000000   0.000000
    23  H   -0.017321   0.011152  -0.000392  -0.000000   0.000000   0.000000
    24  H    0.009972  -0.009653   0.002386  -0.000000   0.000000   0.000000
    25  H    0.865483  -0.050447  -0.097458  -0.000000  -0.000005   0.000000
    26  H   -0.050447   0.645684   0.010221   0.000000  -0.000005  -0.000000
    27  H   -0.097458   0.010221   0.782873   0.000005   0.000104  -0.000000
    28  H   -0.000000   0.000000   0.000005   1.277172  -0.206387  -0.004969
    29  C   -0.000005  -0.000005   0.000104  -0.206387   4.301017   0.001581
    30  H    0.000000  -0.000000  -0.000000  -0.004969   0.001581   0.585674
    31  H   -0.000000   0.000000   0.000021   0.023271   0.179032  -0.000191
    32  H   -0.000001   0.000001   0.000009  -0.004954   0.302478  -0.000035
    33  H    0.000000  -0.000000  -0.000002   0.006557   0.207966   0.000147
              31         32         33
     1  C   -0.003375  -0.000257  -0.000169
     2  C   -0.000622   0.000771   0.000381
     3  C    0.032282  -0.004781  -0.010904
     4  C   -0.032152  -0.006546  -0.018278
     5  C    0.001192  -0.019594   0.000037
     6  C    0.000267   0.006425  -0.001081
     7  C    0.000025  -0.000031  -0.000004
     8  C    0.000002  -0.000000  -0.000000
     9  C   -0.000000   0.000000   0.000000
    10  C    0.000006   0.000007   0.000000
    11  C    0.113449   0.094188   0.164047
    12  C    0.009826  -0.000676  -0.005813
    13  O    0.003968   0.012247  -0.002596
    14  O   -0.000573  -0.000057   0.003813
    15  H   -0.000677   0.000126   0.000039
    16  H    0.013915  -0.001690  -0.004437
    17  H   -0.009060  -0.008617   0.004377
    18  H    0.000302   0.000996  -0.000064
    19  H    0.000001  -0.000000  -0.000000
    20  H    0.000002  -0.000001   0.000000
    21  H    0.000007  -0.000000   0.000000
    22  H   -0.000000   0.000000   0.000000
    23  H   -0.000000   0.000000   0.000000
    24  H   -0.000000   0.000000   0.000000
    25  H   -0.000000  -0.000001   0.000000
    26  H    0.000000   0.000001  -0.000000
    27  H    0.000021   0.000009  -0.000002
    28  H    0.023271  -0.004954   0.006557
    29  C    0.179032   0.302478   0.207966
    30  H   -0.000191  -0.000035   0.000147
    31  H    0.709253  -0.000994  -0.058147
    32  H   -0.000994   0.572051   0.019821
    33  H   -0.058147   0.019821   0.612321
 Mulliken charges:
               1
     1  C   -0.470373
     2  C   -1.339461
     3  C   -0.325241
     4  C   -1.383929
     5  C   -0.136317
     6  C   -0.350364
     7  C    0.973061
     8  C   -1.756661
     9  C    0.837818
    10  C    0.888880
    11  C   -0.652961
    12  C    0.925182
    13  O   -0.508313
    14  O   -0.399270
    15  H    0.425228
    16  H    0.706202
    17  H    0.529537
    18  H    0.447382
    19  H    0.086484
    20  H    0.224085
    21  H   -0.242087
    22  H    0.043096
    23  H    0.110629
    24  H   -0.057516
    25  H   -0.088445
    26  H    0.129984
    27  H    0.017759
    28  H    0.108763
    29  C    0.932993
    30  H    0.183783
    31  H    0.018969
    32  H    0.039114
    33  H    0.081989
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.045145
     2  C   -1.339461
     3  C    0.380961
     4  C   -1.383929
     5  C    0.393220
     6  C    0.097018
     7  C    1.283630
     8  C   -1.998749
     9  C    0.934027
    10  C    0.948178
    11  C   -0.544199
    12  C    0.925182
    13  O   -0.508313
    14  O   -0.215487
    29  C    1.073065
 Electronic spatial extent (au):  <R**2>=           4748.0900
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1316    Y=             -0.8368    Z=              1.2134  Tot=              1.8582
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.3031   YY=            -91.5846   ZZ=            -89.8640
   XY=             -3.8851   XZ=              4.5472   YZ=              1.5171
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.2808   YY=             -1.0007   ZZ=              0.7199
   XY=             -3.8851   XZ=              4.5472   YZ=              1.5171
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             25.5296  YYY=             -7.1268  ZZZ=             -0.6715  XYY=             16.1085
  XXY=            -31.7425  XXZ=             15.0178  XZZ=              3.8686  YZZ=             -6.1753
  YYZ=             -3.7666  XYZ=             18.5470
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5231.2746 YYYY=           -633.7802 ZZZZ=           -477.7886 XXXY=           -181.8825
 XXXZ=             11.0207 YYYX=            -24.4695 YYYZ=              9.4240 ZZZX=              6.1794
 ZZZY=             -8.5087 XXYY=           -933.9723 XXZZ=           -962.5700 YYZZ=           -175.3821
 XXYZ=             82.9139 YYXZ=            -37.1189 ZZXY=            -28.4957
 N-N= 9.705597773679D+02 E-N=-3.463528454668D+03  KE= 6.487241886117D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 11:08:15 2021, MaxMem=  6442450944 cpu:               2.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.18087615D-01-3.41454671D-01 4.50648749D-01
 Polarizability= 2.08367578D+02 9.31197296D+00 1.34084396D+02
                 3.07554708D+00-9.21755552D+00 1.37122516D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.7039   -1.7062        4.9812    4.9821
 2      1.7039    1.7062        4.8370    4.8368      -38.4954  -38.4866
 3     -4.9812   -4.9821       36.7783   36.7656       -4.8355   -4.8368
 4     -4.8370   -4.8368        0.0000    0.0000       -4.9813   -4.9821
 5      1.7171    1.7210        4.9813    4.9821       -1.7063   -1.7062
 6      4.8355    4.8368        1.7063    1.7062       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        5.1186    5.1186       14.9463   14.9463
 2    -14.5103  -14.5103       -0.0000    0.0000       14.9463   14.9463
 3    -14.5103  -14.5103        5.1186    5.1186       -0.0000    0.0000
 4      5.1186    5.1186       14.5103   14.5103     -115.4598 -115.4598
 5    -14.9463  -14.9463      110.2967  110.2967      -14.5103  -14.5103
 6      5.1631    5.1631       14.9463   14.9463       -5.1186   -5.1186
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2595    0.0000        7.6691    6.8249      -19.5053  -19.9284
 2     -6.9533   -6.8249      -19.0141  -19.3471      153.6599  153.9464
 3     20.1939   19.9284     -146.8418 -147.0622       19.3396   19.3471
 4     19.2714   19.3471        0.0591    0.0000       19.7740   19.9284
 5     -6.7141   -6.8841      -20.2050  -19.9284        6.6498    6.8249
 6    -19.5275  -19.3471       -6.6758   -6.8249       -0.0001    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1420    0.0000      -13.0773  -13.1501       30.1776   30.2279
 2     13.7108   13.1501       -2.3811   -1.3296       13.5858   12.6769
 3    -30.0498  -30.2279      -11.6385  -13.1063        1.2430    1.3296
 4      1.3056    1.3296        0.4455    0.0000      -30.5179  -30.2279
 5      0.4119    0.4294       30.3167   30.2279      -13.2447  -13.1501
 6     -1.0829   -1.3296       12.6602   13.1501        0.6056    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -10.7816  -10.7363        4.2613    3.7543      -43.8794  -43.6221
 2     -4.2837   -4.0942       21.5114   20.3955      -44.6741  -43.6221
 3     -4.1771   -4.0942        4.8299    3.7543      -91.6443  -90.5988
 4    -16.3854  -16.6412       -7.3599   -6.6421       16.3364   16.0873
 5    -46.7980  -46.9767        8.3078    7.3242        5.9424    6.6421
 6    -23.2054  -23.4115       47.6183   46.9767       16.5132   16.6412
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.5129   -0.0005    0.0006    0.0007    1.3541    3.4605
 Low frequencies ---   23.6182   38.0581   44.8628
 Diagonal vibrational polarizability:
       38.9069094      18.4296831      11.9115717
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.6088                38.0548                44.8534
 Red. masses --      3.7892                 5.9048                 4.0212
 Frc consts  --      0.0012                 0.0050                 0.0048
 IR Inten    --      0.0864                 1.1818                 0.5689
 RamAct Fr= 1--      0.2564                 0.7333                 2.5892
  Dep-P Fr= 1--      0.7428                 0.7438                 0.7253
  Dep-U Fr= 1--      0.8524                 0.8531                 0.8408
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0011
 Beta2  Fr= 1--      0.0364                 0.1043                 0.3628
 AlphaG Fr= 1--     -0.0004                -0.0011                 0.0053
 Gamma2 Fr= 1--     -0.2599                -0.3525                 0.1292
 Delta2 Fr= 1--     -0.2535                 0.0802                -0.5553
 Raman1 Fr= 1--       1.026                  2.933                 10.357
 ROA1   Fr= 1--     -33.067                -31.273                 -5.363
 CID1   Fr= 1--     -32.243                -10.661                 -0.518
 Raman2 Fr= 1--       0.437                  1.251                  4.354
 ROA2   Fr= 1--      -4.210                 -9.101                  7.544
 CID2   Fr= 1--      -9.631                 -7.274                  1.733
 Raman3 Fr= 1--       0.874                  2.502                  8.708
 ROA3   Fr= 1--     -33.067                -31.273                 -5.363
 CID3   Fr= 1--     -37.824                -12.497                 -0.616
 RC180  Fr= 1--       0.705                  0.706                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.08    -0.03  -0.06  -0.05    -0.05   0.09   0.03
     2   6     0.01   0.07  -0.06    -0.03  -0.05  -0.05    -0.01  -0.04  -0.03
     3   6     0.00   0.03  -0.06    -0.03  -0.06  -0.05    -0.05   0.09   0.03
     4   6    -0.00   0.08  -0.02    -0.02  -0.07  -0.05    -0.01  -0.02  -0.04
     5   6    -0.00   0.12  -0.00    -0.01  -0.09  -0.06     0.03  -0.16  -0.11
     6   6     0.00   0.12  -0.02    -0.01  -0.07  -0.06     0.03  -0.16  -0.11
     7   6     0.02   0.05  -0.09    -0.04   0.01  -0.03    -0.02  -0.01  -0.02
     8   6    -0.01  -0.09   0.03     0.02   0.03   0.03     0.01  -0.04   0.04
     9   6     0.00  -0.10  -0.03    -0.01   0.15  -0.01    -0.01   0.07  -0.05
    10   6    -0.06  -0.05   0.23     0.12   0.03   0.15     0.11  -0.02   0.21
    11   6     0.00   0.06  -0.01    -0.04  -0.02  -0.01    -0.03   0.02  -0.02
    12   6    -0.00  -0.07   0.04     0.01   0.02   0.02     0.02   0.04   0.02
    13   8     0.03  -0.16  -0.01    -0.20  -0.02  -0.10     0.17   0.08   0.11
    14   8    -0.05  -0.06   0.16     0.35   0.12   0.20    -0.12  -0.00  -0.07
    15   1     0.01  -0.02  -0.11    -0.04  -0.04  -0.05    -0.08   0.18   0.09
    16   1     0.00  -0.01  -0.07    -0.04  -0.05  -0.04    -0.08   0.20   0.09
    17   1    -0.00   0.15   0.02    -0.00  -0.10  -0.06     0.06  -0.25  -0.16
    18   1     0.00   0.16  -0.01    -0.01  -0.08  -0.06     0.06  -0.26  -0.16
    19   1     0.06   0.02  -0.22    -0.08   0.02  -0.07    -0.03  -0.02  -0.08
    20   1     0.01   0.18  -0.06    -0.06   0.07  -0.02    -0.03   0.05  -0.01
    21   1    -0.01  -0.22   0.01    -0.00  -0.07   0.02    -0.03  -0.17   0.03
    22   1     0.04  -0.14  -0.17    -0.09   0.14  -0.10    -0.07   0.05  -0.19
    23   1    -0.00   0.03  -0.01    -0.00   0.26   0.01     0.03   0.22  -0.04
    24   1    -0.02  -0.21   0.04     0.03   0.15   0.04     0.01   0.04   0.00
    25   1    -0.08  -0.15   0.31     0.15   0.03   0.18     0.12  -0.05   0.25
    26   1    -0.06   0.09   0.25     0.15   0.13   0.16     0.17   0.10   0.22
    27   1    -0.07  -0.05   0.27     0.14  -0.05   0.18     0.12  -0.11   0.29
    28   1    -0.04   0.12   0.03    -0.05  -0.01   0.00    -0.03   0.04  -0.00
    29   6     0.06   0.06  -0.12    -0.12  -0.01  -0.01    -0.09   0.03  -0.03
    30   1    -0.05  -0.14   0.19     0.37   0.14   0.21    -0.07   0.01  -0.04
    31   1     0.05   0.15  -0.17    -0.17  -0.03  -0.04    -0.11   0.01  -0.04
    32   1     0.11   0.00  -0.17    -0.10  -0.03  -0.02    -0.11   0.02  -0.04
    33   1     0.06   0.04  -0.11    -0.14   0.04   0.04    -0.10   0.08  -0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --     55.5603                61.0597               101.8797
 Red. masses --      4.0740                 3.1885                 4.9067
 Frc consts  --      0.0074                 0.0070                 0.0300
 IR Inten    --      0.5370                 0.0050                 0.1598
 RamAct Fr= 1--      1.9823                 1.0888                 2.5165
  Dep-P Fr= 1--      0.7483                 0.7419                 0.6344
  Dep-U Fr= 1--      0.8560                 0.8518                 0.7763
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0053
 Beta2  Fr= 1--      0.2828                 0.1546                 0.3256
 AlphaG Fr= 1--     -0.0003                 0.0003                 0.0007
 Gamma2 Fr= 1--      1.2778                -1.1738                 0.9035
 Delta2 Fr= 1--      1.3522                -0.5669                 0.4901
 Raman1 Fr= 1--       7.929                  4.355                 10.066
 ROA1   Fr= 1--     165.942               -130.830                102.418
 CID1   Fr= 1--      20.928                -30.039                 10.175
 Raman2 Fr= 1--       3.394                  1.855                  3.907
 ROA2   Fr= 1--      19.850                -23.637                 17.763
 CID2   Fr= 1--       5.849                -12.742                  4.546
 Raman3 Fr= 1--       6.788                  3.710                  7.814
 ROA3   Fr= 1--     165.942               -130.830                102.418
 CID3   Fr= 1--      24.447                -35.264                 13.107
 RC180  Fr= 1--       0.712                  0.704                  0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.18  -0.12    -0.06   0.11  -0.04     0.01  -0.01   0.05
     2   6    -0.01  -0.08  -0.06    -0.01   0.07  -0.07    -0.06   0.06   0.11
     3   6     0.03  -0.15  -0.12    -0.05   0.06  -0.02     0.05  -0.08  -0.04
     4   6    -0.02  -0.02  -0.05     0.00  -0.03  -0.05     0.03  -0.08  -0.07
     5   6    -0.05   0.05  -0.01     0.05  -0.07  -0.08    -0.05  -0.02  -0.01
     6   6    -0.05   0.02  -0.02     0.04  -0.02  -0.10    -0.08   0.05   0.09
     7   6    -0.03  -0.03  -0.00    -0.02   0.09  -0.07    -0.06   0.04   0.13
     8   6     0.07   0.05   0.03    -0.00   0.02   0.02    -0.15   0.04   0.02
     9   6     0.03   0.08   0.20     0.00  -0.11   0.22    -0.11  -0.00  -0.14
    10   6     0.08   0.03  -0.08    -0.16   0.03  -0.04    -0.17   0.04   0.02
    11   6    -0.05   0.06  -0.01    -0.00  -0.06   0.00     0.03  -0.04  -0.08
    12   6     0.02   0.02   0.06     0.05  -0.01   0.03     0.14  -0.01  -0.01
    13   8     0.15   0.01   0.11     0.06   0.01   0.05     0.26   0.03   0.06
    14   8    -0.08   0.00   0.07     0.09  -0.00   0.02     0.17  -0.00  -0.00
    15   1     0.07  -0.27  -0.17    -0.10   0.17  -0.02     0.05  -0.02   0.07
    16   1     0.06  -0.21  -0.16    -0.09   0.09   0.01     0.10  -0.12  -0.08
    17   1    -0.09   0.14   0.04     0.09  -0.13  -0.10    -0.08  -0.00  -0.03
    18   1    -0.08   0.09   0.03     0.08  -0.04  -0.12    -0.13   0.10   0.12
    19   1    -0.07  -0.01   0.04     0.00   0.07  -0.15    -0.04   0.04   0.18
    20   1    -0.07  -0.04   0.00    -0.04   0.17  -0.06    -0.04  -0.04   0.11
    21   1     0.16   0.11   0.02     0.14   0.06   0.00    -0.27   0.06   0.05
    22   1     0.02   0.10   0.29     0.12  -0.11   0.29    -0.12  -0.00  -0.15
    23   1    -0.07   0.01   0.21    -0.14  -0.19   0.24     0.01  -0.02  -0.18
    24   1     0.10   0.14   0.23     0.02  -0.14   0.27    -0.20  -0.01  -0.24
    25   1     0.16   0.08  -0.04    -0.10  -0.01   0.06    -0.26   0.02  -0.07
    26   1    -0.02  -0.03  -0.07    -0.36  -0.01  -0.01    -0.05   0.01  -0.01
    27   1     0.11   0.02  -0.19    -0.14   0.10  -0.22    -0.21   0.08   0.14
    28   1    -0.07   0.12   0.03    -0.04  -0.09  -0.01     0.03  -0.01  -0.06
    29   6    -0.12   0.08  -0.08    -0.01  -0.06   0.07    -0.05  -0.03  -0.11
    30   1    -0.03  -0.02   0.12     0.13   0.03   0.04     0.29   0.04   0.07
    31   1    -0.16   0.10  -0.14    -0.04  -0.09   0.06    -0.09  -0.04  -0.14
    32   1    -0.09   0.03  -0.12     0.02  -0.03   0.08    -0.04  -0.06  -0.13
    33   1    -0.14   0.13  -0.05    -0.02  -0.07   0.11    -0.07   0.03  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    165.9867               214.7491               224.2402
 Red. masses --      3.4331                 2.0330                 1.3787
 Frc consts  --      0.0557                 0.0552                 0.0408
 IR Inten    --      0.0954                 0.4666                 0.1660
 RamAct Fr= 1--      0.5409                 0.1577                 0.8376
  Dep-P Fr= 1--      0.5557                 0.7410                 0.1664
  Dep-U Fr= 1--      0.7144                 0.8512                 0.2853
 Alpha2 Fr= 1--      0.0020                 0.0000                 0.0124
 Beta2  Fr= 1--      0.0644                 0.0224                 0.0398
 AlphaG Fr= 1--     -0.0030                -0.0007                 0.0046
 Gamma2 Fr= 1--      0.2785                -0.0758                -0.0374
 Delta2 Fr= 1--      0.1556                 0.0356                 0.0620
 Raman1 Fr= 1--       2.164                  0.631                  3.351
 ROA1   Fr= 1--      31.719                 -6.141                 -1.608
 CID1   Fr= 1--      14.661                 -9.734                 -0.480
 Raman2 Fr= 1--       0.773                  0.269                  0.478
 ROA2   Fr= 1--       5.440                 -2.105                 -1.395
 CID2   Fr= 1--       7.039                 -7.838                 -2.918
 Raman3 Fr= 1--       1.546                  0.537                  0.956
 ROA3   Fr= 1--      31.719                 -6.141                 -1.608
 CID3   Fr= 1--      20.523                -11.435                 -1.682
 RC180  Fr= 1--       0.429                  0.702                 -0.429
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.02     0.07  -0.02  -0.02     0.03  -0.05  -0.02
     2   6    -0.06  -0.03  -0.03     0.03   0.01   0.01     0.00  -0.04  -0.01
     3   6    -0.04   0.13  -0.05     0.07  -0.01  -0.07     0.02  -0.01  -0.03
     4   6    -0.06   0.12  -0.08     0.04   0.01  -0.08     0.01   0.02  -0.01
     5   6    -0.11   0.11  -0.06     0.03  -0.03  -0.09    -0.00  -0.03  -0.03
     6   6    -0.11   0.03  -0.04     0.01  -0.03  -0.04     0.00  -0.06  -0.03
     7   6    -0.06  -0.13   0.04     0.01   0.02   0.09    -0.02   0.01   0.02
     8   6    -0.01  -0.06   0.02    -0.01   0.03   0.04    -0.03   0.02   0.01
     9   6    -0.05   0.04   0.04     0.01  -0.02  -0.04    -0.02   0.01  -0.03
    10   6     0.11  -0.09  -0.03    -0.05   0.04   0.02    -0.05   0.03   0.03
    11   6    -0.03  -0.01  -0.05     0.01   0.03   0.00     0.01   0.03  -0.00
    12   6     0.02  -0.01  -0.01    -0.01   0.02   0.01    -0.00   0.02   0.00
    13   8     0.09  -0.01   0.02    -0.03  -0.04  -0.04     0.01  -0.00  -0.01
    14   8     0.06  -0.00   0.04    -0.08   0.01   0.05    -0.02   0.02   0.04
    15   1     0.02   0.04   0.01     0.09  -0.02  -0.01     0.05  -0.06  -0.02
    16   1    -0.01   0.16  -0.05     0.11  -0.01  -0.09     0.03  -0.01  -0.03
    17   1    -0.15   0.13  -0.08     0.01  -0.05  -0.12    -0.01  -0.03  -0.05
    18   1    -0.14  -0.00  -0.04    -0.02  -0.06  -0.04    -0.00  -0.08  -0.03
    19   1    -0.01  -0.12   0.16     0.02   0.02   0.15    -0.05   0.01   0.02
    20   1    -0.12  -0.24   0.03    -0.03  -0.05   0.08    -0.02   0.01   0.02
    21   1    -0.02  -0.05   0.02    -0.06   0.06   0.06    -0.04   0.02   0.01
    22   1    -0.13   0.05   0.03     0.01   0.00   0.06    -0.09   0.07   0.19
    23   1    -0.07   0.09   0.05     0.11  -0.14  -0.08     0.10  -0.22  -0.09
    24   1     0.01   0.09   0.08    -0.06   0.03  -0.17    -0.05   0.18  -0.24
    25   1     0.09  -0.02  -0.12    -0.13   0.02  -0.06     0.10   0.01   0.23
    26   1     0.22  -0.12  -0.05     0.04   0.00  -0.00    -0.30   0.09   0.09
    27   1     0.10  -0.15   0.06    -0.08   0.08   0.11     0.01  -0.00  -0.19
    28   1    -0.12  -0.12  -0.09    -0.04  -0.02  -0.02     0.00   0.01  -0.01
    29   6     0.17  -0.07   0.13    -0.03   0.01   0.13     0.07   0.02   0.05
    30   1     0.13   0.01   0.08    -0.14  -0.06   0.03    -0.03  -0.01   0.04
    31   1     0.19  -0.07   0.14    -0.35   0.02  -0.14     0.37  -0.07   0.34
    32   1     0.30   0.06   0.19     0.39   0.05   0.06    -0.28   0.11   0.18
    33   1     0.18  -0.27   0.20    -0.15  -0.04   0.59     0.19  -0.00  -0.33
                     10                     11                     12
                      A                      A                      A
 Frequencies --    227.9483               235.8238               254.6764
 Red. masses --      1.1418                 1.8868                 1.3197
 Frc consts  --      0.0350                 0.0618                 0.0504
 IR Inten    --      0.5015                 0.2543                 0.3908
 RamAct Fr= 1--      0.1140                 1.6405                 0.3646
  Dep-P Fr= 1--      0.4512                 0.2013                 0.7375
  Dep-U Fr= 1--      0.6219                 0.3352                 0.8489
 Alpha2 Fr= 1--      0.0007                 0.0222                 0.0001
 Beta2  Fr= 1--      0.0118                 0.0916                 0.0516
 AlphaG Fr= 1--      0.0034                 0.0050                 0.0023
 Gamma2 Fr= 1--     -0.0132                -0.2397                 0.1777
 Delta2 Fr= 1--     -0.0274                -0.2041                 0.2476
 Raman1 Fr= 1--       0.456                  6.562                  1.458
 ROA1   Fr= 1--      -2.142                -29.540                 24.986
 CID1   Fr= 1--      -4.697                 -4.502                 17.134
 Raman2 Fr= 1--       0.142                  1.100                  0.619
 ROA2   Fr= 1--      -0.097                 -4.119                  2.284
 CID2   Fr= 1--      -0.683                 -3.745                  3.691
 Raman3 Fr= 1--       0.284                  2.199                  1.238
 ROA3   Fr= 1--      -2.142                -29.540                 24.986
 CID3   Fr= 1--      -7.554                -13.431                 20.183
 RC180  Fr= 1--       0.244                 -0.330                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01     0.02  -0.07  -0.02    -0.02  -0.02  -0.03
     2   6    -0.01  -0.02   0.00    -0.01  -0.06  -0.01    -0.01  -0.01  -0.03
     3   6    -0.02   0.01   0.02     0.01  -0.03   0.00    -0.03  -0.02  -0.00
     4   6    -0.01   0.00   0.02     0.01   0.02   0.04    -0.01   0.00   0.02
     5   6    -0.01   0.01   0.03     0.01  -0.05   0.01     0.01  -0.02   0.00
     6   6    -0.01   0.00   0.02     0.02  -0.09  -0.01     0.01  -0.02  -0.02
     7   6    -0.00  -0.01  -0.03    -0.03   0.00  -0.02    -0.02   0.02  -0.01
     8   6     0.00  -0.01  -0.01    -0.04   0.02  -0.02    -0.01   0.01   0.02
     9   6    -0.00   0.01  -0.02    -0.06   0.05   0.01     0.00  -0.02   0.02
    10   6     0.01  -0.01   0.02    -0.09   0.02  -0.01     0.00   0.02   0.02
    11   6    -0.00  -0.01   0.01     0.02   0.04   0.03    -0.01  -0.00   0.03
    12   6     0.00  -0.00   0.00    -0.00   0.02   0.02    -0.01  -0.00   0.03
    13   8    -0.00   0.02   0.02    -0.02   0.04   0.02    -0.03   0.04   0.05
    14   8     0.02  -0.00  -0.03    -0.00   0.02  -0.01     0.02   0.00  -0.02
    15   1    -0.02  -0.00   0.01     0.04  -0.09  -0.02    -0.03  -0.03  -0.04
    16   1    -0.03   0.01   0.03     0.00  -0.03   0.01    -0.04  -0.02   0.00
    17   1    -0.02   0.02   0.03     0.00  -0.05  -0.00     0.02  -0.03   0.01
    18   1    -0.00   0.00   0.02     0.04  -0.11  -0.03     0.03  -0.02  -0.03
    19   1    -0.02  -0.01  -0.06    -0.07   0.01  -0.03    -0.03   0.02  -0.04
    20   1     0.01   0.02  -0.02    -0.01   0.02  -0.02    -0.04   0.06  -0.00
    21   1     0.01  -0.03  -0.02    -0.03   0.01  -0.02    -0.01   0.02   0.02
    22   1    -0.09   0.08   0.25    -0.00  -0.04  -0.37    -0.04   0.05   0.33
    23   1     0.10  -0.26  -0.08    -0.22   0.45   0.10     0.10  -0.35  -0.05
    24   1    -0.01   0.21  -0.23     0.00  -0.19   0.33    -0.03   0.17  -0.22
    25   1     0.25  -0.00   0.29    -0.09  -0.00   0.02    -0.28  -0.00  -0.29
    26   1    -0.32   0.08   0.10    -0.14   0.03  -0.00     0.42  -0.05  -0.07
    27   1     0.11  -0.09  -0.29    -0.09   0.06  -0.05    -0.11   0.09   0.42
    28   1    -0.00   0.00   0.01     0.02   0.05   0.04    -0.01   0.02   0.04
    29   6     0.03  -0.00  -0.04     0.16   0.03  -0.03     0.08   0.00  -0.06
    30   1     0.04   0.03  -0.03    -0.02   0.03  -0.02     0.02   0.04  -0.02
    31   1    -0.17   0.12  -0.28     0.10   0.19  -0.16     0.12   0.11  -0.08
    32   1     0.36  -0.08  -0.16     0.40  -0.01  -0.11     0.12  -0.05  -0.10
    33   1    -0.04  -0.06   0.25     0.15  -0.10   0.11     0.10  -0.06  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    298.0842               309.0713               358.0691
 Red. masses --      2.7521                 3.7794                 2.9075
 Frc consts  --      0.1441                 0.2127                 0.2196
 IR Inten    --      0.3940                 0.9527                 0.9103
 RamAct Fr= 1--      1.4355                 1.3384                 1.7420
  Dep-P Fr= 1--      0.1069                 0.7460                 0.7495
  Dep-U Fr= 1--      0.1931                 0.8545                 0.8568
 Alpha2 Fr= 1--      0.0247                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0462                 0.1906                 0.2488
 AlphaG Fr= 1--     -0.0033                -0.0004                 0.0003
 Gamma2 Fr= 1--     -0.1382                -0.9335                 0.7911
 Delta2 Fr= 1--      0.0779                -0.8565                 0.1884
 Raman1 Fr= 1--       5.742                  5.354                  6.968
 ROA1   Fr= 1--     -10.776               -117.030                 81.978
 CID1   Fr= 1--      -1.877                -21.860                 11.765
 Raman2 Fr= 1--       0.554                  2.287                  2.985
 ROA2   Fr= 1--      -3.941                -15.553                 17.480
 CID2   Fr= 1--      -7.109                 -6.799                  5.856
 Raman3 Fr= 1--       1.109                  4.575                  5.970
 ROA3   Fr= 1--     -10.776               -117.030                 81.978
 CID3   Fr= 1--      -9.719                -25.582                 13.731
 RC180  Fr= 1--      -0.614                  0.709                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00    -0.05  -0.09   0.07    -0.05   0.04   0.04
     2   6     0.00  -0.01   0.00    -0.02  -0.14   0.03    -0.06   0.11   0.08
     3   6    -0.02   0.02  -0.03    -0.06   0.02   0.09     0.00  -0.12  -0.04
     4   6    -0.07   0.02  -0.05    -0.08   0.03   0.06     0.01  -0.09  -0.03
     5   6    -0.06   0.02  -0.06    -0.10   0.01   0.07     0.00  -0.10  -0.03
     6   6    -0.05  -0.01  -0.04    -0.06  -0.10   0.05    -0.04   0.03   0.04
     7   6     0.03   0.00   0.11     0.00   0.06  -0.11    -0.03   0.11  -0.01
     8   6     0.08   0.09   0.05     0.08   0.08  -0.06    -0.06   0.00   0.02
     9   6     0.18  -0.10  -0.08     0.12  -0.07  -0.01    -0.02  -0.11  -0.00
    10   6     0.02   0.09   0.01    -0.02   0.12   0.03     0.17  -0.04  -0.05
    11   6    -0.08  -0.04   0.00    -0.03   0.03  -0.09    -0.01   0.02  -0.02
    12   6    -0.05  -0.03   0.05     0.01   0.04  -0.12    -0.01   0.06  -0.02
    13   8    -0.06   0.06   0.11     0.15  -0.06  -0.13     0.01   0.03  -0.03
    14   8     0.02  -0.02  -0.01    -0.00   0.05   0.03    -0.07   0.07   0.07
    15   1    -0.01  -0.01  -0.00    -0.04  -0.09   0.08    -0.06   0.06   0.05
    16   1     0.02   0.04  -0.04    -0.05   0.06   0.10     0.02  -0.19  -0.08
    17   1    -0.06   0.02  -0.06    -0.13   0.06   0.08     0.02  -0.15  -0.06
    18   1    -0.10  -0.03  -0.03    -0.09  -0.13   0.05    -0.04   0.05   0.05
    19   1     0.00   0.04   0.26    -0.18   0.07  -0.28    -0.01   0.07  -0.21
    20   1    -0.04  -0.13   0.10     0.11   0.24  -0.10     0.03   0.29   0.00
    21   1     0.05   0.13   0.06     0.14   0.05  -0.07    -0.06  -0.00   0.02
    22   1     0.40  -0.19  -0.30     0.28  -0.09   0.01     0.13  -0.15  -0.05
    23   1     0.23   0.04  -0.07     0.08  -0.13  -0.01    -0.04  -0.11   0.00
    24   1    -0.00  -0.38  -0.02     0.05  -0.16  -0.01    -0.11  -0.24   0.03
    25   1     0.10   0.08   0.13    -0.16   0.01  -0.03     0.36   0.17  -0.05
    26   1    -0.15   0.10   0.05     0.12   0.17   0.02     0.17  -0.07  -0.06
    27   1     0.05   0.11  -0.14    -0.08   0.20   0.20     0.26  -0.28  -0.14
    28   1    -0.15  -0.04   0.02     0.05  -0.03  -0.15     0.02   0.01  -0.04
    29   6     0.03  -0.06  -0.07     0.00   0.00   0.07     0.10   0.00  -0.00
    30   1     0.09   0.07  -0.00     0.10  -0.02   0.13    -0.07  -0.03   0.11
    31   1     0.11   0.03  -0.04    -0.06  -0.06   0.05     0.16   0.07   0.02
    32   1     0.02  -0.09  -0.09     0.12   0.13   0.12     0.17   0.04   0.01
    33   1     0.07  -0.12  -0.16    -0.02  -0.08   0.21     0.13  -0.14  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    383.3109               409.5839               418.8151
 Red. masses --      2.9200                 2.9284                 2.9718
 Frc consts  --      0.2528                 0.2894                 0.3071
 IR Inten    --      0.4850                 2.4397                 0.0037
 RamAct Fr= 1--      1.0201                 3.7694                 0.0152
  Dep-P Fr= 1--      0.1141                 0.1374                 0.4822
  Dep-U Fr= 1--      0.2049                 0.2415                 0.6507
 Alpha2 Fr= 1--      0.0173                 0.0602                 0.0001
 Beta2  Fr= 1--      0.0348                 0.1517                 0.0016
 AlphaG Fr= 1--      0.0135                 0.0270                 0.0048
 Gamma2 Fr= 1--      0.0844                 0.7319                -0.2002
 Delta2 Fr= 1--     -0.0926                 0.2169                 0.0077
 Raman1 Fr= 1--       4.080                 15.078                  0.061
 ROA1   Fr= 1--       5.144                 77.200                -18.975
 CID1   Fr= 1--       1.261                  5.120               -312.993
 Raman2 Fr= 1--       0.418                  1.821                  0.020
 ROA2   Fr= 1--       2.768                 15.830                 -4.868
 CID2   Fr= 1--       6.622                  8.694               -246.804
 Raman3 Fr= 1--       0.836                  3.642                  0.039
 ROA3   Fr= 1--       5.144                 77.200                -18.975
 CID3   Fr= 1--       6.154                 21.198               -481.045
 RC180  Fr= 1--      -0.590                 -0.517                  0.301
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.00   0.14    -0.04   0.03   0.03     0.06  -0.18  -0.09
     2   6     0.02  -0.05   0.14     0.03   0.05   0.01    -0.00  -0.01   0.01
     3   6     0.12   0.03  -0.06    -0.03  -0.06   0.02    -0.05   0.18   0.10
     4   6     0.02   0.03  -0.13    -0.03  -0.10  -0.02     0.00  -0.00  -0.01
     5   6    -0.05   0.03  -0.10     0.01  -0.05  -0.01     0.05  -0.18  -0.11
     6   6    -0.07  -0.04   0.08    -0.00   0.07   0.01    -0.07   0.17   0.11
     7   6     0.06   0.05  -0.12     0.08  -0.04   0.00    -0.00   0.00  -0.01
     8   6     0.03  -0.03  -0.09     0.12  -0.08   0.05    -0.00   0.00  -0.02
     9   6    -0.01   0.04   0.03     0.10   0.13  -0.01    -0.01  -0.01   0.00
    10   6    -0.02  -0.01  -0.01    -0.11  -0.08  -0.01     0.01   0.01  -0.00
    11   6    -0.03  -0.02  -0.01    -0.06  -0.04  -0.06     0.00   0.00  -0.00
    12   6    -0.02  -0.03   0.06    -0.05   0.06  -0.05     0.00  -0.00   0.01
    13   8    -0.08   0.04   0.09     0.03   0.05  -0.02    -0.00   0.00   0.00
    14   8     0.00  -0.04   0.00    -0.08   0.09   0.10     0.00  -0.00  -0.00
    15   1     0.16   0.03   0.24    -0.09   0.05  -0.01     0.14  -0.38  -0.19
    16   1     0.25   0.08  -0.10    -0.03  -0.05   0.02    -0.11   0.38   0.21
    17   1    -0.15   0.06  -0.16     0.06  -0.07   0.01     0.11  -0.38  -0.22
    18   1    -0.20  -0.09   0.12    -0.02   0.11   0.03    -0.14   0.37   0.22
    19   1    -0.06   0.02  -0.44     0.14  -0.06  -0.01    -0.00   0.00  -0.02
    20   1     0.29   0.34  -0.12     0.04  -0.03   0.01     0.02   0.01  -0.01
    21   1     0.08  -0.08  -0.10     0.14  -0.08   0.05     0.00  -0.00  -0.02
    22   1    -0.08   0.07   0.10    -0.17   0.16  -0.05     0.01  -0.01   0.02
    23   1    -0.10   0.01   0.05     0.24   0.22  -0.03    -0.03  -0.02   0.01
    24   1     0.10   0.13   0.07     0.19   0.29  -0.08    -0.00  -0.02   0.02
    25   1    -0.09  -0.09  -0.02    -0.27  -0.21  -0.06     0.02   0.01   0.01
    26   1     0.03   0.03  -0.01    -0.20  -0.22  -0.02     0.02   0.03   0.00
    27   1    -0.05   0.04   0.07    -0.20   0.21  -0.05     0.02  -0.01   0.01
    28   1    -0.14  -0.02   0.02    -0.00  -0.07  -0.10    -0.01   0.00   0.00
    29   6    -0.01  -0.03  -0.02     0.04  -0.08  -0.04     0.00   0.00   0.01
    30   1    -0.01  -0.00  -0.03     0.04  -0.03   0.22    -0.00   0.00  -0.01
    31   1     0.02  -0.04   0.01     0.10   0.00  -0.03     0.01  -0.00   0.01
    32   1    -0.05  -0.03  -0.01     0.12  -0.05  -0.04    -0.00   0.01   0.01
    33   1    -0.00  -0.03  -0.06     0.07  -0.22  -0.05     0.00   0.00   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.3553               477.7641               510.6508
 Red. masses --      2.0275                 3.8699                 3.0260
 Frc consts  --      0.2151                 0.5204                 0.4649
 IR Inten    --      0.8962                12.1763                 1.5201
 RamAct Fr= 1--      0.3695                 0.9484                 0.4955
  Dep-P Fr= 1--      0.4055                 0.1816                 0.5771
  Dep-U Fr= 1--      0.5770                 0.3074                 0.7318
 Alpha2 Fr= 1--      0.0027                 0.0135                 0.0016
 Beta2  Fr= 1--      0.0355                 0.0486                 0.0604
 AlphaG Fr= 1--      0.0017                -0.0136                -0.0061
 Gamma2 Fr= 1--      0.0411                 0.4612                 0.2498
 Delta2 Fr= 1--     -0.1708                 0.2346                 0.1289
 Raman1 Fr= 1--       1.478                  3.793                  1.982
 ROA1   Fr= 1--      -1.523                 51.787                 28.106
 CID1   Fr= 1--      -1.030                 13.652                 14.180
 Raman2 Fr= 1--       0.426                  0.583                  0.725
 ROA2   Fr= 1--       2.352                  9.193                  4.965
 CID2   Fr= 1--       5.515                 15.764                  6.845
 Raman3 Fr= 1--       0.853                  1.166                  1.451
 ROA3   Fr= 1--      -1.523                 51.787                 28.106
 CID3   Fr= 1--      -1.786                 44.404                 19.377
 RC180  Fr= 1--       0.154                 -0.385                  0.464
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05  -0.02    -0.11   0.08   0.02    -0.00  -0.04   0.02
     2   6     0.00  -0.02  -0.00    -0.12   0.02   0.01     0.03   0.17   0.10
     3   6    -0.01   0.04   0.01    -0.04  -0.07  -0.07    -0.01  -0.09   0.02
     4   6    -0.02   0.07   0.02     0.04  -0.09  -0.05    -0.13   0.11   0.07
     5   6    -0.01   0.02   0.00    -0.06  -0.10  -0.02     0.01  -0.05  -0.05
     6   6     0.01  -0.04  -0.02    -0.12   0.05   0.06     0.02  -0.00  -0.04
     7   6    -0.02   0.12   0.02    -0.05  -0.07  -0.05     0.10   0.02   0.02
     8   6     0.00  -0.03   0.19     0.10  -0.02  -0.00     0.01  -0.03  -0.07
     9   6     0.03   0.03  -0.03     0.14   0.04  -0.01    -0.02   0.01   0.01
    10   6    -0.01  -0.10  -0.06    -0.03  -0.01   0.00     0.00  -0.02   0.00
    11   6    -0.01   0.02   0.01     0.08   0.12   0.08    -0.13   0.08  -0.03
    12   6     0.00  -0.03   0.00     0.11  -0.01   0.09    -0.10  -0.05  -0.02
    13   8     0.01  -0.03   0.01    -0.02  -0.08  -0.01     0.03  -0.08   0.02
    14   8     0.04  -0.03  -0.04     0.07  -0.06  -0.09     0.06  -0.04  -0.09
    15   1     0.02  -0.08  -0.03    -0.11   0.14   0.08    -0.00  -0.23  -0.14
    16   1    -0.01   0.05   0.01    -0.10  -0.10  -0.06     0.10  -0.27  -0.11
    17   1    -0.01   0.02  -0.01    -0.11  -0.09  -0.06     0.13  -0.25  -0.10
    18   1     0.01  -0.06  -0.03    -0.12   0.12   0.09     0.04  -0.22  -0.14
    19   1    -0.06   0.06  -0.34    -0.05  -0.06   0.01     0.23   0.01   0.11
    20   1    -0.05   0.50   0.09    -0.08  -0.10  -0.05     0.16  -0.11  -0.01
    21   1    -0.03  -0.03   0.20     0.17  -0.04  -0.02     0.00  -0.03  -0.07
    22   1    -0.08   0.02  -0.18     0.08   0.04  -0.04    -0.06   0.03   0.07
    23   1     0.27   0.15  -0.08     0.21   0.06  -0.03    -0.12   0.00   0.04
    24   1    -0.06   0.02  -0.14     0.12   0.06  -0.05     0.09   0.08   0.07
    25   1     0.02   0.08  -0.21    -0.14  -0.14   0.01    -0.00  -0.08   0.05
    26   1    -0.06  -0.41  -0.12    -0.09  -0.04   0.01     0.00   0.06   0.02
    27   1     0.01  -0.04  -0.22    -0.09   0.16   0.00    -0.00  -0.02   0.03
    28   1    -0.02   0.02   0.02     0.02   0.20   0.15    -0.13   0.10  -0.01
    29   6    -0.02   0.03   0.02     0.06   0.20   0.08    -0.00   0.09   0.04
    30   1     0.05   0.04  -0.06    -0.26   0.02  -0.35     0.40   0.26   0.04
    31   1    -0.04  -0.00   0.01     0.07   0.17   0.10     0.03   0.07   0.08
    32   1    -0.04   0.03   0.02     0.03   0.23   0.10     0.06   0.19   0.09
    33   1    -0.03   0.06   0.03     0.06   0.20   0.07     0.01  -0.05   0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --    591.7572               617.7631               641.9024
 Red. masses --      2.0213                 1.7875                 3.3510
 Frc consts  --      0.4170                 0.4019                 0.8135
 IR Inten    --     49.2852                62.5229                20.9174
 RamAct Fr= 1--      1.4252                 1.0800                 3.2171
  Dep-P Fr= 1--      0.2366                 0.7496                 0.6630
  Dep-U Fr= 1--      0.3827                 0.8569                 0.7973
 Alpha2 Fr= 1--      0.0175                 0.0000                 0.0050
 Beta2  Fr= 1--      0.0909                 0.1542                 0.4275
 AlphaG Fr= 1--     -0.0127                -0.0006                -0.0250
 Gamma2 Fr= 1--     -0.3410                -1.1876                -0.1083
 Delta2 Fr= 1--     -0.0429                -0.4997                 0.1272
 Raman1 Fr= 1--       5.701                  4.320                 12.868
 ROA1   Fr= 1--     -34.113               -129.998                 -6.331
 CID1   Fr= 1--      -5.984                -30.092                 -0.492
 Raman2 Fr= 1--       1.091                  1.851                  5.130
 ROA2   Fr= 1--      -7.842                -24.504                 -3.618
 CID2   Fr= 1--      -7.189                -13.240                 -0.705
 Raman3 Fr= 1--       2.182                  3.702                 10.260
 ROA3   Fr= 1--     -34.113               -129.998                 -6.331
 CID3   Fr= 1--     -15.637                -35.118                 -0.617
 RC180  Fr= 1--      -0.235                  0.714                  0.595
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.02     0.01   0.04  -0.03    -0.09  -0.03   0.05
     2   6     0.08  -0.11  -0.07    -0.09   0.03   0.01    -0.01  -0.05   0.04
     3   6     0.02  -0.02   0.04     0.04   0.02  -0.04    -0.06   0.03  -0.13
     4   6     0.02  -0.14  -0.06     0.06   0.06   0.04     0.02   0.03  -0.05
     5   6     0.02   0.00   0.01     0.00  -0.04   0.03     0.11   0.06  -0.07
     6   6     0.02   0.05  -0.01    -0.02  -0.01   0.04     0.08  -0.01   0.11
     7   6     0.01   0.00   0.01    -0.08  -0.03  -0.04    -0.02  -0.02   0.00
     8   6    -0.03   0.01   0.02     0.02  -0.00   0.00    -0.00   0.00   0.01
     9   6    -0.04  -0.01  -0.00     0.05   0.01   0.00     0.01   0.00   0.00
    10   6    -0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.06   0.06  -0.06     0.09  -0.01  -0.01    -0.03  -0.04   0.18
    12   6    -0.08  -0.04  -0.01    -0.03  -0.04  -0.05    -0.02   0.08   0.08
    13   8    -0.02  -0.02   0.04    -0.03   0.06   0.01     0.05  -0.15  -0.06
    14   8    -0.01  -0.03  -0.04    -0.06  -0.06   0.01    -0.06   0.14  -0.09
    15   1    -0.10   0.29   0.14     0.11  -0.06  -0.04    -0.02  -0.00   0.13
    16   1    -0.05   0.22   0.17     0.02  -0.12  -0.10    -0.02   0.08  -0.13
    17   1    -0.01   0.22   0.17    -0.02  -0.15  -0.07     0.04   0.07  -0.13
    18   1    -0.05   0.29   0.13     0.07  -0.08  -0.02     0.01  -0.01   0.14
    19   1    -0.03   0.01  -0.03    -0.09  -0.03  -0.02    -0.04  -0.01   0.02
    20   1    -0.01   0.04   0.02    -0.09  -0.03  -0.04    -0.02  -0.04  -0.00
    21   1    -0.06   0.03   0.03     0.07  -0.02  -0.01     0.00   0.01   0.01
    22   1    -0.03  -0.01  -0.01     0.06  -0.00  -0.02     0.01  -0.00  -0.01
    23   1    -0.04  -0.01  -0.00     0.09   0.01  -0.01     0.02   0.00  -0.00
    24   1    -0.06  -0.02  -0.00     0.01  -0.01  -0.03    -0.01  -0.01  -0.01
    25   1     0.03   0.06  -0.02    -0.03  -0.03   0.00    -0.01   0.00  -0.00
    26   1     0.01  -0.01  -0.01    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    27   1     0.01  -0.02  -0.01    -0.01   0.04  -0.00    -0.00   0.01  -0.00
    28   1    -0.04   0.12  -0.02     0.13  -0.02  -0.02    -0.07  -0.11   0.14
    29   6     0.02   0.09   0.02     0.00   0.01   0.00    -0.01  -0.06  -0.00
    30   1     0.53   0.23   0.24     0.70   0.06   0.50     0.45   0.51   0.13
    31   1     0.07   0.04   0.09    -0.09  -0.10  -0.02     0.05   0.19  -0.07
    32   1     0.10   0.25   0.11    -0.06  -0.01   0.01    -0.04  -0.32  -0.16
    33   1     0.04  -0.08   0.07    -0.04   0.14   0.05     0.02   0.00  -0.16
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.4875               715.0433               762.2759
 Red. masses --      5.2470                 3.3663                 3.6730
 Frc consts  --      1.3691                 1.0141                 1.2575
 IR Inten    --      6.5434                32.8880                 4.8961
 RamAct Fr= 1--      4.9943                 1.6116                13.1739
  Dep-P Fr= 1--      0.4881                 0.1325                 0.0433
  Dep-U Fr= 1--      0.6560                 0.2340                 0.0830
 Alpha2 Fr= 1--      0.0260                 0.0260                 0.2644
 Beta2  Fr= 1--      0.5460                 0.0628                 0.1822
 AlphaG Fr= 1--     -0.0193                 0.0390                -0.0059
 Gamma2 Fr= 1--      0.1487                 1.0415                 0.0662
 Delta2 Fr= 1--     -0.3965                 0.3003                -0.1226
 Raman1 Fr= 1--      19.977                  6.446                 52.696
 ROA1   Fr= 1--       1.591                109.594                  2.435
 CID1   Fr= 1--       0.080                 17.001                  0.046
 Raman2 Fr= 1--       6.552                  0.754                  2.186
 ROA2   Fr= 1--       6.741                 22.594                  2.571
 CID2   Fr= 1--       1.029                 29.961                  1.176
 Raman3 Fr= 1--      13.105                  1.508                  4.372
 ROA3   Fr= 1--       1.591                109.594                  2.435
 CID3   Fr= 1--       0.121                 72.666                  0.557
 RC180  Fr= 1--       0.312                 -0.532                 -0.834
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24   0.14  -0.09    -0.05  -0.10  -0.01    -0.06   0.07   0.10
     2   6    -0.01   0.03  -0.07     0.04   0.07   0.04     0.12  -0.18  -0.09
     3   6     0.21  -0.03   0.15    -0.10   0.02   0.05     0.00  -0.13  -0.01
     4   6     0.01  -0.03   0.07    -0.02  -0.09  -0.06    -0.11   0.18   0.10
     5   6    -0.21  -0.12   0.07    -0.12   0.06  -0.02     0.01  -0.07  -0.12
     6   6    -0.19   0.04  -0.16    -0.07  -0.05  -0.12    -0.06   0.15  -0.03
     7   6    -0.02   0.00  -0.03     0.14   0.09   0.08     0.08  -0.05   0.00
     8   6     0.00  -0.00  -0.01     0.01  -0.01  -0.04    -0.00   0.01   0.06
     9   6     0.01  -0.00  -0.00    -0.02  -0.00  -0.01    -0.08  -0.02  -0.00
    10   6     0.00   0.01  -0.00    -0.00  -0.03  -0.00     0.01   0.07  -0.00
    11   6    -0.02  -0.04   0.13     0.11  -0.03   0.09     0.03  -0.02   0.08
    12   6    -0.02   0.07   0.09     0.20   0.04   0.04     0.07   0.00  -0.04
    13   8     0.03  -0.14  -0.02    -0.04   0.04  -0.07     0.01   0.06  -0.05
    14   8    -0.03   0.13  -0.07    -0.08  -0.06  -0.01    -0.01  -0.06   0.01
    15   1     0.20   0.15  -0.11    -0.15  -0.09  -0.09    -0.18   0.23   0.13
    16   1     0.13  -0.06   0.17    -0.14   0.16   0.13     0.11  -0.31  -0.13
    17   1    -0.16  -0.14   0.10    -0.15   0.19   0.05     0.14  -0.30  -0.20
    18   1    -0.11   0.08  -0.18    -0.17  -0.10  -0.10    -0.19   0.24   0.06
    19   1    -0.05  -0.01  -0.14     0.21   0.07   0.07    -0.01  -0.06  -0.16
    20   1     0.00   0.11  -0.02     0.20   0.05   0.06     0.08   0.11   0.03
    21   1     0.02  -0.01  -0.01    -0.07   0.01  -0.02    -0.05   0.04   0.07
    22   1     0.02  -0.00  -0.00    -0.07   0.02   0.05    -0.10  -0.02  -0.03
    23   1     0.00  -0.00  -0.00    -0.14   0.00   0.02    -0.03  -0.00  -0.01
    24   1     0.00  -0.00   0.00     0.10   0.06   0.07    -0.11  -0.03  -0.03
    25   1    -0.00  -0.01   0.00     0.01  -0.04   0.03     0.02   0.12  -0.04
    26   1    -0.00   0.01  -0.00     0.01   0.02   0.01     0.00   0.01  -0.01
    27   1    -0.00   0.01   0.00     0.00  -0.06   0.02     0.01   0.08  -0.03
    28   1    -0.04  -0.09   0.10     0.05  -0.03   0.10     0.01  -0.09   0.05
    29   6    -0.01  -0.09  -0.00     0.03   0.03   0.02     0.01   0.01   0.02
    30   1     0.15   0.43  -0.05     0.45  -0.06   0.36     0.07  -0.20   0.12
    31   1     0.03   0.11  -0.06    -0.01   0.08  -0.03    -0.04   0.09  -0.06
    32   1    -0.03  -0.30  -0.13    -0.04  -0.11  -0.06    -0.08  -0.18  -0.08
    33   1     0.01  -0.05  -0.12     0.01   0.19  -0.03    -0.01   0.20  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    798.2735               826.7717               840.8051
 Red. masses --      2.4206                 3.1942                 2.8009
 Frc consts  --      0.9088                 1.2864                 1.1667
 IR Inten    --     16.7094                 9.2373                 0.9870
 RamAct Fr= 1--      7.3030                 6.6479                20.5985
  Dep-P Fr= 1--      0.0514                 0.2137                 0.0369
  Dep-U Fr= 1--      0.0978                 0.3521                 0.0712
 Alpha2 Fr= 1--      0.1438                 0.0870                 0.4197
 Beta2  Fr= 1--      0.1190                 0.3902                 0.2443
 AlphaG Fr= 1--     -0.0310                -0.0746                 0.0409
 Gamma2 Fr= 1--     -0.8330                 1.4879                 1.5228
 Delta2 Fr= 1--     -0.7383                 0.7647                 0.1514
 Raman1 Fr= 1--      29.212                 26.592                 82.394
 ROA1   Fr= 1--    -103.597                167.310                151.034
 CID1   Fr= 1--      -3.546                  6.292                  1.833
 Raman2 Fr= 1--       1.428                  4.682                  2.931
 ROA2   Fr= 1--     -14.087                 29.592                 35.336
 CID2   Fr= 1--      -9.863                  6.321                 12.054
 Raman3 Fr= 1--       2.857                  9.364                  5.863
 ROA3   Fr= 1--    -103.597                167.310                151.034
 CID3   Fr= 1--     -36.267                 17.868                 25.761
 RC180  Fr= 1--      -0.804                 -0.296                 -0.858
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.06     0.03  -0.00   0.03     0.06  -0.04   0.03
     2   6     0.01   0.02   0.01     0.00  -0.05  -0.04    -0.03   0.08   0.05
     3   6     0.00   0.03   0.10     0.05  -0.04   0.04     0.06  -0.03   0.06
     4   6    -0.02  -0.07  -0.04    -0.06   0.08   0.04    -0.03  -0.05  -0.03
     5   6     0.02   0.07   0.01     0.05  -0.01  -0.01     0.04   0.06  -0.05
     6   6     0.03   0.05  -0.01     0.04   0.02   0.01     0.03   0.02  -0.05
     7   6    -0.03  -0.12  -0.09    -0.13   0.11   0.02    -0.12  -0.05  -0.07
     8   6    -0.00  -0.00   0.09    -0.03   0.05  -0.10    -0.01   0.00   0.01
     9   6    -0.05  -0.01   0.02     0.12   0.05  -0.01     0.03   0.01   0.02
    10   6     0.02   0.10   0.00    -0.04  -0.17   0.01     0.00   0.00   0.00
    11   6    -0.05   0.02  -0.08    -0.10   0.04  -0.06    -0.12  -0.03   0.16
    12   6     0.16   0.04   0.11     0.20   0.05   0.09    -0.02  -0.01  -0.12
    13   8    -0.05  -0.01  -0.02    -0.04   0.01  -0.05     0.05   0.07  -0.07
    14   8    -0.04  -0.01  -0.03    -0.04  -0.04  -0.02     0.03  -0.09   0.02
    15   1     0.10  -0.38  -0.19    -0.02   0.16   0.13     0.05   0.02   0.08
    16   1     0.16  -0.25  -0.09     0.11  -0.04   0.02     0.08   0.27   0.18
    17   1     0.17  -0.17  -0.06     0.11  -0.03   0.03     0.07   0.13   0.03
    18   1     0.14  -0.29  -0.20     0.02   0.20   0.10     0.02  -0.07  -0.08
    19   1    -0.03  -0.14  -0.16    -0.22   0.18   0.25    -0.11  -0.04  -0.02
    20   1    -0.05  -0.02  -0.07    -0.20  -0.10  -0.00    -0.13  -0.08  -0.07
    21   1     0.09  -0.03   0.06    -0.06   0.03  -0.09     0.09  -0.03  -0.02
    22   1    -0.05  -0.04  -0.10     0.24   0.05   0.10     0.08  -0.01  -0.04
    23   1     0.15   0.01  -0.03    -0.05  -0.03   0.02     0.15   0.00  -0.01
    24   1    -0.22  -0.08  -0.11     0.19   0.03   0.09    -0.09  -0.05  -0.06
    25   1     0.00   0.16  -0.07     0.01  -0.19   0.08    -0.01   0.01  -0.01
    26   1    -0.01  -0.02  -0.02     0.03  -0.03   0.03    -0.00  -0.01  -0.00
    27   1     0.01   0.17  -0.07    -0.01  -0.31   0.10    -0.00   0.01  -0.00
    28   1    -0.12   0.13   0.01    -0.22   0.14   0.04    -0.13  -0.16   0.08
    29   6    -0.01  -0.02  -0.03    -0.04  -0.06  -0.03    -0.02   0.08   0.07
    30   1     0.12   0.06   0.06     0.11  -0.05   0.08    -0.00  -0.33   0.09
    31   1     0.06  -0.06   0.06     0.07  -0.04   0.05     0.12   0.55  -0.02
    32   1     0.07   0.16   0.07     0.07   0.10   0.05     0.04  -0.24  -0.14
    33   1     0.01  -0.22   0.02     0.00  -0.30  -0.01     0.06   0.01  -0.17
                     31                     32                     33
                      A                      A                      A
 Frequencies --    852.4731               856.4455               874.0173
 Red. masses --      1.4927                 2.3570                 1.8588
 Frc consts  --      0.6391                 1.0186                 0.8366
 IR Inten    --      1.4285                 2.9442                15.4538
 RamAct Fr= 1--      3.8417                 8.7872                 2.3846
  Dep-P Fr= 1--      0.2792                 0.1893                 0.1089
  Dep-U Fr= 1--      0.4365                 0.3183                 0.1964
 Alpha2 Fr= 1--      0.0419                 0.1227                 0.0409
 Beta2  Fr= 1--      0.2795                 0.4662                 0.0780
 AlphaG Fr= 1--     -0.0444                -0.0301                -0.0540
 Gamma2 Fr= 1--     -0.1719                 0.6489                -1.3419
 Delta2 Fr= 1--     -0.5810                 0.1843                -0.4781
 Raman1 Fr= 1--      15.367                 35.149                  9.538
 ROA1   Fr= 1--     -35.093                 68.190               -144.120
 CID1   Fr= 1--      -2.284                  1.940                -15.109
 Raman2 Fr= 1--       3.354                  5.595                  0.937
 ROA2   Fr= 1--       0.523                 14.099                -28.380
 CID2   Fr= 1--       0.156                  2.520                -30.302
 Raman3 Fr= 1--       6.707                 11.190                  1.873
 ROA3   Fr= 1--     -35.093                 68.190               -144.120
 CID3   Fr= 1--      -5.232                  6.094                -76.940
 RC180  Fr= 1--      -0.127                 -0.363                 -0.607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.08    -0.03  -0.09   0.08    -0.00  -0.08   0.03
     2   6    -0.02   0.03   0.01     0.02  -0.01  -0.00    -0.03   0.10   0.05
     3   6     0.02  -0.06  -0.08     0.02  -0.07   0.09     0.03  -0.07   0.03
     4   6    -0.00   0.03   0.02    -0.01  -0.04  -0.02    -0.03   0.08   0.04
     5   6    -0.02   0.01   0.06     0.01   0.13  -0.06     0.03  -0.04  -0.07
     6   6    -0.01   0.02   0.06    -0.03   0.11  -0.07     0.02  -0.06  -0.07
     7   6     0.03  -0.03   0.01    -0.08   0.01  -0.02    -0.04  -0.02  -0.09
     8   6     0.01  -0.02   0.01    -0.03   0.03  -0.03     0.01  -0.02   0.03
     9   6    -0.03  -0.01   0.00     0.05   0.03   0.00    -0.03  -0.01   0.02
    10   6     0.01   0.04  -0.00    -0.02  -0.06   0.01     0.01   0.05   0.01
    11   6    -0.04   0.02  -0.02     0.13  -0.02  -0.03     0.06   0.02  -0.04
    12   6     0.05   0.01   0.02    -0.08  -0.02   0.01     0.02   0.00   0.03
    13   8    -0.01   0.01  -0.01    -0.00  -0.03   0.05    -0.01  -0.02   0.02
    14   8    -0.01  -0.01  -0.01    -0.00   0.06   0.00    -0.01   0.02  -0.01
    15   1    -0.12   0.49   0.24    -0.16   0.10   0.13    -0.11   0.17   0.15
    16   1    -0.21   0.48   0.25     0.04   0.15   0.18    -0.01   0.23   0.18
    17   1     0.06  -0.31  -0.13     0.23  -0.32  -0.25    -0.09   0.41   0.19
    18   1     0.14  -0.30  -0.13     0.03  -0.39  -0.30    -0.17   0.41   0.20
    19   1     0.08  -0.05  -0.07    -0.15   0.04   0.05     0.09  -0.02   0.09
    20   1     0.05   0.04   0.01    -0.12  -0.03  -0.02    -0.05  -0.21  -0.11
    21   1     0.00  -0.00   0.02    -0.02   0.02  -0.03     0.18  -0.10  -0.02
    22   1    -0.07  -0.01  -0.02     0.14   0.02   0.03    -0.07  -0.03  -0.09
    23   1    -0.00   0.01  -0.00     0.02  -0.02   0.00     0.18   0.03  -0.02
    24   1    -0.02   0.00  -0.01     0.02  -0.02   0.01    -0.15  -0.03  -0.11
    25   1    -0.01   0.02  -0.01     0.01  -0.05   0.02     0.00   0.10  -0.06
    26   1    -0.01   0.03  -0.00     0.02  -0.02   0.01    -0.01  -0.06  -0.01
    27   1     0.00   0.10  -0.02    -0.00  -0.13   0.03     0.01   0.10  -0.05
    28   1    -0.07   0.05   0.01     0.20  -0.05  -0.07     0.05   0.04  -0.02
    29   6    -0.02  -0.03  -0.01     0.05   0.02  -0.01     0.02  -0.05  -0.03
    30   1     0.02  -0.02   0.02    -0.04   0.15  -0.06     0.01   0.08  -0.01
    31   1     0.02  -0.02   0.02    -0.11  -0.21  -0.04    -0.08  -0.24  -0.02
    32   1     0.03   0.03   0.02    -0.09   0.01   0.02    -0.05   0.02   0.04
    33   1    -0.00  -0.13   0.00    -0.03   0.28   0.08    -0.04   0.08   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.7513               935.9746               954.5925
 Red. masses --      1.5352                 1.1989                 1.5936
 Frc consts  --      0.7290                 0.6188                 0.8556
 IR Inten    --      2.4651                 1.8143                 0.5134
 RamAct Fr= 1--      2.6464                 1.1143                 4.0937
  Dep-P Fr= 1--      0.7487                 0.5322                 0.6826
  Dep-U Fr= 1--      0.8563                 0.6947                 0.8113
 Alpha2 Fr= 1--      0.0001                 0.0047                 0.0049
 Beta2  Fr= 1--      0.3777                 0.1290                 0.5536
 AlphaG Fr= 1--     -0.0002                 0.0154                 0.0351
 Gamma2 Fr= 1--     -0.7013                -0.3520                -0.4187
 Delta2 Fr= 1--     -0.4677                -0.7099                 0.6625
 Raman1 Fr= 1--      10.586                  4.457                 16.375
 ROA1   Fr= 1--     -82.289                -56.511                -18.994
 CID1   Fr= 1--      -7.774                -12.678                 -1.160
 Raman2 Fr= 1--       4.532                  1.548                  6.643
 ROA2   Fr= 1--     -13.089                 -2.769                -15.348
 CID2   Fr= 1--      -2.888                 -1.789                 -2.311
 Raman3 Fr= 1--       9.065                  3.096                 13.285
 ROA3   Fr= 1--     -82.289                -56.511                -18.994
 CID3   Fr= 1--      -9.078                -18.250                 -1.430
 RC180  Fr= 1--       0.713                  0.389                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00    -0.03   0.08   0.03
     2   6    -0.02   0.03   0.03    -0.01   0.01   0.00     0.02  -0.00   0.00
     3   6    -0.01  -0.01   0.02     0.00  -0.01   0.01     0.01  -0.08  -0.07
     4   6    -0.01   0.01   0.02    -0.00   0.00   0.00    -0.00   0.02   0.02
     5   6     0.05   0.01  -0.03     0.01   0.00  -0.01    -0.01  -0.02   0.00
     6   6     0.02   0.01  -0.05     0.00   0.00  -0.01    -0.00   0.00  -0.00
     7   6    -0.06  -0.10   0.12    -0.02  -0.00   0.01     0.06  -0.07  -0.02
     8   6     0.01  -0.04  -0.03     0.05   0.01  -0.00    -0.08   0.06   0.01
     9   6     0.03  -0.00  -0.01    -0.04   0.03  -0.07     0.05   0.07   0.01
    10   6     0.03   0.03  -0.06     0.07   0.00   0.05    -0.05  -0.04   0.02
    11   6     0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.01   0.00
    12   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.04   0.02  -0.02     0.00  -0.01  -0.00     0.14  -0.45  -0.28
    16   1    -0.03   0.01   0.04     0.00   0.02   0.02    -0.20   0.47   0.26
    17   1     0.05   0.16   0.09     0.01   0.03   0.02    -0.04   0.07   0.05
    18   1    -0.01   0.13   0.01     0.00   0.01  -0.00     0.00  -0.01  -0.01
    19   1    -0.11  -0.20  -0.46    -0.05   0.00   0.00     0.05  -0.09  -0.14
    20   1    -0.01   0.46   0.19    -0.03   0.02   0.01     0.15   0.03  -0.02
    21   1    -0.18   0.23   0.05    -0.21  -0.28   0.00    -0.14   0.05   0.02
    22   1     0.03   0.01   0.04     0.29   0.04   0.19     0.35   0.04   0.07
    23   1    -0.09  -0.01   0.02    -0.41  -0.22  -0.01     0.02  -0.09  -0.00
    24   1     0.13   0.02   0.08     0.02  -0.11   0.14    -0.11  -0.11   0.01
    25   1    -0.05  -0.27   0.16    -0.15  -0.07  -0.13     0.05   0.12  -0.03
    26   1    -0.03   0.35   0.02    -0.19  -0.40   0.01     0.04  -0.07  -0.00
    27   1    -0.04   0.11   0.11    -0.02   0.44  -0.21     0.01  -0.21   0.02
    28   1     0.02   0.03   0.00     0.00   0.00   0.00     0.01   0.03   0.01
    29   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.02  -0.01
    30   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1    -0.01  -0.07   0.00    -0.00  -0.01   0.00    -0.01  -0.05  -0.00
    32   1    -0.00   0.03   0.02     0.00   0.00   0.00    -0.01   0.01   0.01
    33   1    -0.01  -0.01   0.02    -0.00  -0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.5708               971.7720               978.2021
 Red. masses --      1.6253                 1.4883                 1.3889
 Frc consts  --      0.8836                 0.8281                 0.7830
 IR Inten    --      0.1020                 0.0390                 0.1205
 RamAct Fr= 1--      2.4131                 2.0920                 0.7118
  Dep-P Fr= 1--      0.7070                 0.6372                 0.7101
  Dep-U Fr= 1--      0.8284                 0.7784                 0.8305
 Alpha2 Fr= 1--      0.0018                 0.0043                 0.0005
 Beta2  Fr= 1--      0.3332                 0.2714                 0.0985
 AlphaG Fr= 1--     -0.0068                 0.0140                 0.0064
 Gamma2 Fr= 1--     -1.4690                -0.9698                 0.9528
 Delta2 Fr= 1--     -0.4623                -0.0873                -0.2747
 Raman1 Fr= 1--       9.652                  8.368                  2.847
 ROA1   Fr= 1--    -155.815                -95.895                 82.679
 CID1   Fr= 1--     -16.143                -11.460                 29.037
 Raman2 Fr= 1--       3.998                  3.257                  1.182
 ROA2   Fr= 1--     -31.556                -22.576                 25.065
 CID2   Fr= 1--      -7.893                 -6.932                 21.199
 Raman3 Fr= 1--       7.996                  6.513                  2.365
 ROA3   Fr= 1--    -155.815                -95.895                 82.679
 CID3   Fr= 1--     -19.487                -14.723                 34.964
 RC180  Fr= 1--       0.657                  0.557                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.06     0.00  -0.01  -0.00    -0.01   0.00   0.01
     2   6     0.01   0.03   0.02    -0.01   0.00   0.00     0.01  -0.02  -0.01
     3   6    -0.04   0.08   0.02     0.00   0.00   0.01     0.00  -0.00   0.00
     4   6     0.00  -0.01   0.00    -0.00   0.00   0.00     0.00   0.02   0.01
     5   6    -0.00  -0.04  -0.01     0.01  -0.01  -0.02     0.03  -0.10  -0.06
     6   6    -0.01   0.02   0.01    -0.00   0.01  -0.00    -0.03   0.10   0.05
     7   6     0.06  -0.09  -0.03    -0.01  -0.02   0.00    -0.01   0.03   0.01
     8   6    -0.08   0.06   0.01    -0.07  -0.07   0.00     0.03   0.00  -0.00
     9   6     0.04   0.09   0.02     0.12  -0.04  -0.04    -0.02  -0.02  -0.00
    10   6    -0.04  -0.03   0.02    -0.06   0.11   0.03     0.01  -0.01  -0.01
    11   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.01
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.16   0.46   0.23    -0.01   0.03   0.02     0.01  -0.06  -0.02
    16   1     0.10  -0.39  -0.24     0.02  -0.02  -0.00    -0.00   0.04   0.02
    17   1    -0.07   0.16   0.10    -0.01   0.09   0.04    -0.20   0.58   0.30
    18   1     0.03  -0.10  -0.05     0.02  -0.05  -0.04     0.18  -0.56  -0.31
    19   1     0.10  -0.12  -0.16    -0.02  -0.03  -0.03    -0.05   0.05   0.07
    20   1     0.18   0.01  -0.04    -0.03   0.00   0.01    -0.05  -0.00   0.01
    21   1    -0.13   0.04   0.02    -0.23  -0.23   0.01     0.06   0.03  -0.01
    22   1     0.40   0.04   0.05    -0.19   0.04   0.12    -0.10  -0.01  -0.03
    23   1     0.06  -0.10  -0.01    -0.17   0.09   0.05    -0.00   0.02  -0.00
    24   1    -0.19  -0.15  -0.02     0.51   0.22   0.18    -0.00   0.02  -0.01
    25   1     0.04   0.10  -0.03     0.14   0.52  -0.17    -0.02  -0.08   0.03
    26   1     0.02  -0.08  -0.00     0.11  -0.13  -0.05    -0.01   0.03   0.01
    27   1     0.01  -0.17   0.01     0.07  -0.18  -0.11    -0.01   0.03   0.01
    28   1     0.00   0.00   0.01     0.00   0.01   0.01     0.01   0.05   0.03
    29   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.01
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00   0.00     0.00  -0.01   0.00    -0.01  -0.05   0.00
    32   1     0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.01   0.01
    33   1     0.00  -0.00  -0.00    -0.00  -0.01   0.00    -0.01  -0.03   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7985              1046.2099              1084.0010
 Red. masses --      1.9238                 2.8154                 2.1082
 Frc consts  --      1.1673                 1.8156                 1.4596
 IR Inten    --      2.6223                 4.1554                64.6854
 RamAct Fr= 1--     11.0582                 0.0309                 2.2631
  Dep-P Fr= 1--      0.2638                 0.7377                 0.7435
  Dep-U Fr= 1--      0.4174                 0.8491                 0.8529
 Alpha2 Fr= 1--      0.1261                 0.0000                 0.0003
 Beta2  Fr= 1--      0.7693                 0.0044                 0.3217
 AlphaG Fr= 1--      0.0172                -0.0001                 0.0059
 Gamma2 Fr= 1--     -0.2147                -0.1338                -1.9355
 Delta2 Fr= 1--     -1.3837                 0.1422                 0.3852
 Raman1 Fr= 1--      44.233                  0.123                  9.052
 ROA1   Fr= 1--     -64.889                 -8.294               -173.478
 CID1   Fr= 1--      -1.467                -67.213                -19.164
 Raman2 Fr= 1--       9.232                  0.052                  3.860
 ROA2   Fr= 1--       5.917                 -4.349                -49.533
 CID2   Fr= 1--       0.641                -83.011                -12.832
 Raman3 Fr= 1--      18.464                  0.105                  7.720
 ROA3   Fr= 1--     -64.889                 -8.294               -173.478
 CID3   Fr= 1--      -3.514                -79.162                -22.470
 RC180  Fr= 1--      -0.165                  0.698                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03     0.05   0.11  -0.17    -0.05  -0.03   0.02
     2   6     0.00   0.01  -0.01    -0.03  -0.01  -0.00     0.00   0.01  -0.04
     3   6     0.00  -0.02   0.01     0.01  -0.09   0.17     0.02  -0.02   0.05
     4   6    -0.07   0.02  -0.03    -0.04  -0.01  -0.00     0.05   0.02  -0.03
     5   6     0.01  -0.04   0.02     0.05   0.11  -0.17    -0.02  -0.00   0.00
     6   6     0.04  -0.01   0.07     0.00  -0.09   0.17     0.01  -0.01   0.03
     7   6    -0.01  -0.00  -0.00     0.01   0.00   0.01     0.02   0.01  -0.03
     8   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.02  -0.01   0.03
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.01  -0.01
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.02
    11   6    -0.04  -0.11  -0.14     0.01   0.00   0.03     0.05   0.18  -0.08
    12   6     0.06   0.01   0.06    -0.01   0.00  -0.00    -0.04   0.07   0.03
    13   8    -0.03  -0.02   0.02     0.00   0.00  -0.01    -0.00   0.00   0.00
    14   8    -0.02   0.03  -0.00     0.00  -0.00   0.00     0.02  -0.10   0.02
    15   1     0.01   0.01  -0.06    -0.20   0.14  -0.37    -0.19  -0.01  -0.08
    16   1     0.00   0.05   0.04    -0.29  -0.24   0.24     0.08  -0.01   0.03
    17   1    -0.02   0.10   0.12    -0.19   0.14  -0.36    -0.17  -0.00  -0.14
    18   1     0.13  -0.04   0.02    -0.30  -0.24   0.25     0.05   0.01   0.02
    19   1     0.02  -0.01  -0.01     0.00   0.01   0.01     0.22  -0.03   0.01
    20   1    -0.04   0.01   0.01     0.09  -0.01  -0.01    -0.20  -0.02   0.01
    21   1    -0.03   0.01   0.01     0.02  -0.01  -0.01    -0.13   0.08   0.07
    22   1     0.01   0.00   0.01    -0.00  -0.00  -0.01     0.05   0.02   0.04
    23   1    -0.02  -0.00   0.00     0.02   0.00  -0.00    -0.06  -0.02   0.00
    24   1     0.02   0.00   0.01    -0.02  -0.00  -0.01     0.04  -0.01   0.04
    25   1    -0.00  -0.02   0.01     0.00   0.02  -0.01    -0.01  -0.08   0.05
    26   1    -0.00   0.02   0.00     0.00  -0.02  -0.00    -0.01   0.11   0.00
    27   1    -0.00   0.01   0.01     0.00  -0.01  -0.00    -0.01   0.02   0.04
    28   1    -0.24  -0.50  -0.33     0.06   0.08   0.06     0.15  -0.10  -0.28
    29   6     0.08   0.10   0.07     0.01  -0.01  -0.02    -0.05  -0.10   0.08
    30   1    -0.01   0.07  -0.01    -0.00  -0.01   0.00     0.01   0.27  -0.12
    31   1    -0.11   0.19  -0.12    -0.01  -0.09   0.01     0.03   0.33  -0.06
    32   1    -0.13  -0.23  -0.10    -0.00   0.07   0.03     0.02  -0.48  -0.18
    33   1     0.03   0.54  -0.07    -0.01  -0.01   0.04     0.04  -0.12  -0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.2443              1106.9971              1138.3399
 Red. masses --      1.5699                 1.8126                 2.1664
 Frc consts  --      1.1136                 1.3087                 1.6540
 IR Inten    --     13.5013                30.6344                 2.9823
 RamAct Fr= 1--      1.9266                 4.3726                18.5668
  Dep-P Fr= 1--      0.5570                 0.1228                 0.3536
  Dep-U Fr= 1--      0.7155                 0.2187                 0.5224
 Alpha2 Fr= 1--      0.0071                 0.0724                 0.1611
 Beta2  Fr= 1--      0.2297                 0.1594                 1.6166
 AlphaG Fr= 1--     -0.0045                 0.0539                -0.0653
 Gamma2 Fr= 1--      1.2356                -0.4351                 1.5897
 Delta2 Fr= 1--      1.5359                 0.7368                 0.9536
 Raman1 Fr= 1--       7.706                 17.490                 74.267
 ROA1   Fr= 1--     167.765                -18.193                183.125
 CID1   Fr= 1--      21.770                 -1.040                  2.466
 Raman2 Fr= 1--       2.757                  1.913                 19.400
 ROA2   Fr= 1--      17.366                -16.337                 30.524
 CID2   Fr= 1--       6.299                 -8.540                  1.573
 Raman3 Fr= 1--       5.514                  3.826                 38.799
 ROA3   Fr= 1--     167.765                -18.193                183.125
 CID3   Fr= 1--      30.426                 -4.755                  4.720
 RC180  Fr= 1--       0.431                 -0.563                  0.045
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02     0.02   0.02  -0.03    -0.03  -0.03   0.00
     2   6    -0.02  -0.02   0.04    -0.01  -0.01   0.05    -0.03   0.05   0.00
     3   6    -0.01  -0.00  -0.02    -0.03   0.01  -0.02     0.03  -0.01   0.03
     4   6     0.03   0.02   0.06    -0.03  -0.04  -0.01     0.02   0.02  -0.01
     5   6     0.03   0.01  -0.03     0.02   0.01   0.02    -0.02  -0.01  -0.00
     6   6    -0.02   0.02  -0.05     0.01   0.01  -0.03     0.02  -0.01   0.00
     7   6    -0.00  -0.02   0.04    -0.02  -0.03   0.07     0.04  -0.09  -0.05
     8   6     0.03   0.02  -0.05     0.04   0.04  -0.07     0.14   0.17   0.07
     9   6    -0.02  -0.01   0.02    -0.02  -0.02   0.02    -0.06  -0.06  -0.10
    10   6    -0.01  -0.01   0.03    -0.02  -0.01   0.05    -0.07  -0.07   0.04
    11   6     0.06  -0.06  -0.08    -0.03   0.13   0.00    -0.00  -0.00   0.00
    12   6     0.02  -0.00   0.02    -0.03   0.06   0.01     0.01  -0.03  -0.01
    13   8    -0.02  -0.02   0.03     0.01   0.02  -0.03    -0.00  -0.00   0.01
    14   8    -0.01   0.01   0.00     0.01  -0.07   0.01    -0.00   0.03  -0.01
    15   1     0.04   0.01   0.02     0.08   0.02   0.01    -0.18   0.04  -0.07
    16   1    -0.17  -0.03   0.04    -0.12  -0.07  -0.02     0.16   0.06   0.00
    17   1     0.08   0.06   0.05     0.18  -0.04   0.12    -0.14   0.01  -0.10
    18   1    -0.12  -0.01  -0.02     0.02   0.04  -0.02     0.15   0.12   0.00
    19   1    -0.27   0.03  -0.02    -0.42   0.04  -0.05    -0.21  -0.02  -0.04
    20   1     0.28   0.04   0.00     0.38   0.07   0.01    -0.10   0.08   0.00
    21   1     0.17  -0.07  -0.09     0.24  -0.08  -0.12     0.13   0.46   0.12
    22   1    -0.07  -0.02  -0.05    -0.11  -0.03  -0.07    -0.24   0.01   0.10
    23   1     0.07   0.03  -0.00     0.09   0.04  -0.00    -0.41   0.01   0.00
    24   1    -0.05   0.01  -0.05    -0.06   0.02  -0.07     0.20   0.07   0.09
    25   1     0.01   0.11  -0.06     0.02   0.15  -0.08     0.09   0.11   0.02
    26   1     0.02  -0.15  -0.00     0.03  -0.22  -0.00     0.09  -0.14   0.00
    27   1     0.02  -0.05  -0.05     0.03  -0.07  -0.08     0.01  -0.30   0.04
    28   1     0.33  -0.18  -0.22    -0.11   0.04  -0.03    -0.08   0.02   0.04
    29   6    -0.10   0.05   0.03     0.07  -0.08   0.02    -0.01   0.00   0.00
    30   1    -0.00   0.10  -0.03     0.00   0.13  -0.07     0.00  -0.09   0.04
    31   1     0.18   0.42   0.09    -0.16  -0.19  -0.13     0.01   0.02   0.01
    32   1     0.21   0.02  -0.05    -0.18  -0.25  -0.04     0.01   0.00  -0.00
    33   1     0.04  -0.37  -0.15    -0.01   0.31   0.01     0.00  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.3705              1161.5098              1193.8617
 Red. masses --      1.5710                 2.0470                 1.7705
 Frc consts  --      1.2207                 1.6271                 1.4868
 IR Inten    --     51.5400               152.8042                 9.1549
 RamAct Fr= 1--      1.3660                 1.2864                 2.6126
  Dep-P Fr= 1--      0.4230                 0.7386                 0.5704
  Dep-U Fr= 1--      0.5945                 0.8497                 0.7265
 Alpha2 Fr= 1--      0.0093                 0.0002                 0.0089
 Beta2  Fr= 1--      0.1353                 0.1822                 0.3163
 AlphaG Fr= 1--     -0.0091                 0.0026                -0.0044
 Gamma2 Fr= 1--     -1.5757                -1.2800                 1.7650
 Delta2 Fr= 1--     -0.8729                -0.5241                -0.4218
 Raman1 Fr= 1--       5.464                  5.145                 10.451
 ROA1   Fr= 1--    -179.205               -139.652                155.943
 CID1   Fr= 1--     -32.797                -27.141                 14.922
 Raman2 Fr= 1--       1.624                  2.186                  3.796
 ROA2   Fr= 1--     -30.834                -26.528                 45.735
 CID2   Fr= 1--     -18.984                -12.135                 12.049
 Raman3 Fr= 1--       3.248                  4.372                  7.592
 ROA3   Fr= 1--    -179.205               -139.652                155.943
 CID3   Fr= 1--     -55.167                -31.943                 20.541
 RC180  Fr= 1--       0.189                  0.699                  0.453
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.02   0.01    -0.03  -0.00  -0.01     0.00  -0.00   0.00
     2   6    -0.01   0.00   0.01     0.01   0.00  -0.00     0.01   0.00  -0.01
     3   6    -0.05   0.00  -0.04     0.04   0.01  -0.01    -0.00  -0.00   0.00
     4   6    -0.04  -0.02   0.02    -0.05  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.05   0.02  -0.01    -0.05  -0.02  -0.01    -0.00  -0.00   0.00
     6   6    -0.05  -0.01  -0.01     0.05   0.00   0.02    -0.00  -0.00   0.01
     7   6     0.02  -0.00  -0.07    -0.01  -0.01   0.02    -0.03   0.02   0.05
     8   6     0.02   0.03   0.07     0.00   0.00  -0.02     0.15  -0.12   0.01
     9   6    -0.01  -0.01  -0.05    -0.00  -0.00   0.01    -0.06   0.09  -0.04
    10   6    -0.01  -0.02  -0.02    -0.00   0.00   0.01    -0.10   0.04  -0.04
    11   6    -0.00  -0.02   0.00     0.00  -0.12   0.05     0.00  -0.00   0.00
    12   6    -0.02   0.08   0.03    -0.05   0.15   0.05    -0.00   0.00   0.00
    13   8     0.01   0.01  -0.02     0.02   0.02  -0.05     0.00   0.00  -0.00
    14   8     0.00  -0.07   0.02     0.01  -0.12   0.05     0.00  -0.00   0.00
    15   1     0.42  -0.01   0.29    -0.18   0.01  -0.13     0.02  -0.00   0.02
    16   1    -0.29  -0.10   0.02     0.34   0.18  -0.07    -0.01  -0.00   0.00
    17   1     0.30   0.01   0.19    -0.24   0.01  -0.14    -0.02  -0.00  -0.01
    18   1    -0.35  -0.14   0.06     0.30   0.12  -0.03    -0.01  -0.02   0.01
    19   1     0.14  -0.00   0.05    -0.05  -0.00  -0.02     0.04  -0.00   0.01
    20   1    -0.21  -0.06  -0.04     0.05   0.02   0.01    -0.23   0.11   0.10
    21   1    -0.07   0.18   0.11     0.02  -0.02  -0.02     0.34  -0.27  -0.05
    22   1    -0.03   0.02   0.08    -0.01  -0.01  -0.02     0.34   0.04   0.06
    23   1    -0.19  -0.02   0.00     0.03   0.01   0.00    -0.18  -0.25  -0.06
    24   1     0.11   0.01   0.07    -0.01   0.00  -0.01    -0.23  -0.21   0.05
    25   1     0.02  -0.06   0.06    -0.00   0.02  -0.01     0.18   0.29   0.04
    26   1     0.02   0.10   0.00    -0.00  -0.04   0.00     0.23   0.21  -0.06
    27   1    -0.01  -0.06   0.07     0.00   0.00  -0.02     0.01  -0.35   0.05
    28   1     0.18  -0.07  -0.07     0.30  -0.17  -0.06     0.00  -0.00  -0.00
    29   6     0.01   0.01  -0.02     0.01   0.06  -0.07     0.00   0.00  -0.00
    30   1    -0.01   0.22  -0.09    -0.03   0.43  -0.19    -0.00   0.01  -0.00
    31   1    -0.01  -0.06   0.00     0.04  -0.18   0.06     0.00  -0.00   0.00
    32   1    -0.00   0.08   0.03     0.04   0.32   0.09    -0.00   0.00   0.00
    33   1    -0.01   0.01   0.04    -0.03  -0.07   0.14    -0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.9091              1221.8476              1236.4767
 Red. masses --      1.2765                 2.1191                 2.3417
 Frc consts  --      1.1046                 1.8640                 2.1094
 IR Inten    --      3.1718                10.3187                 1.3854
 RamAct Fr= 1--     46.6602                32.2318                30.3172
  Dep-P Fr= 1--      0.0978                 0.1568                 0.1305
  Dep-U Fr= 1--      0.1782                 0.2711                 0.2308
 Alpha2 Fr= 1--      0.8213                 0.4897                 0.4923
 Beta2  Fr= 1--      1.3860                 1.4566                 1.1664
 AlphaG Fr= 1--     -0.0914                -0.0324                -0.1005
 Gamma2 Fr= 1--      1.1702                 0.5729                -1.5235
 Delta2 Fr= 1--      0.3688                -0.0221                 0.1690
 Raman1 Fr= 1--     186.641                128.927                121.269
 ROA1   Fr= 1--     124.139                 54.289               -140.846
 CID1   Fr= 1--       0.665                  0.421                 -1.161
 Raman2 Fr= 1--      16.632                 17.479                 13.996
 ROA2   Fr= 1--      25.133                 13.926                -37.915
 CID2   Fr= 1--       1.511                  0.797                 -2.709
 Raman3 Fr= 1--      33.264                 34.958                 27.992
 ROA3   Fr= 1--     124.139                 54.289               -140.846
 CID3   Fr= 1--       3.732                  1.553                 -5.032
 RC180  Fr= 1--      -0.644                 -0.458                 -0.538
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.04    -0.08  -0.03   0.02     0.05  -0.00   0.03
     2   6     0.04   0.01   0.01    -0.04  -0.01  -0.02     0.27   0.08   0.05
     3   6     0.02   0.03  -0.04     0.06   0.00   0.03    -0.07   0.01  -0.06
     4   6    -0.10  -0.03  -0.01     0.21   0.06   0.02     0.04   0.02  -0.01
     5   6     0.01  -0.02   0.03     0.08   0.01   0.04    -0.07  -0.05   0.04
     6   6    -0.01  -0.02   0.04    -0.10  -0.01  -0.04     0.03   0.00   0.01
     7   6    -0.02  -0.00  -0.01     0.02   0.01   0.02    -0.09  -0.04  -0.03
     8   6     0.00   0.00   0.00     0.00   0.00  -0.02     0.00   0.01  -0.06
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.01  -0.01   0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.01     0.00  -0.00   0.03
    11   6     0.04   0.02   0.01    -0.08  -0.05  -0.01     0.01  -0.01   0.00
    12   6     0.00  -0.01  -0.00    -0.01   0.03   0.00    -0.01   0.00  -0.00
    13   8    -0.00  -0.00   0.01     0.01   0.01  -0.03     0.00   0.00  -0.00
    14   8     0.00   0.01  -0.01    -0.00  -0.04   0.02    -0.00  -0.01   0.01
    15   1    -0.29   0.06  -0.27    -0.40  -0.00  -0.23    -0.16   0.03  -0.14
    16   1     0.48   0.25  -0.16     0.04  -0.01   0.05    -0.39  -0.14   0.02
    17   1     0.37  -0.05   0.32     0.21   0.00   0.13    -0.30  -0.03  -0.14
    18   1    -0.36  -0.19   0.13    -0.48  -0.18   0.04    -0.29  -0.15   0.11
    19   1    -0.04  -0.00  -0.01     0.08  -0.02  -0.03    -0.23  -0.02  -0.05
    20   1    -0.06  -0.01  -0.00     0.02   0.01   0.02    -0.54   0.09   0.06
    21   1    -0.00   0.01   0.00     0.01   0.02  -0.01    -0.06   0.08  -0.04
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.02    -0.05  -0.02  -0.06
    23   1    -0.01  -0.00  -0.00     0.02   0.00  -0.00     0.07   0.04   0.01
    24   1     0.01   0.00   0.00    -0.02  -0.00  -0.01    -0.02   0.03  -0.05
    25   1     0.00   0.00   0.00    -0.00   0.03  -0.02    -0.03   0.05  -0.05
    26   1     0.00   0.00  -0.00     0.00  -0.04   0.00    -0.01  -0.12   0.01
    27   1    -0.00  -0.00   0.00     0.01  -0.01  -0.02     0.02   0.02  -0.07
    28   1     0.21   0.08   0.00    -0.48  -0.21  -0.01    -0.13  -0.05   0.01
    29   6    -0.01  -0.01   0.01     0.02   0.03  -0.03    -0.01   0.01  -0.01
    30   1     0.01  -0.06   0.03    -0.02   0.19  -0.08    -0.01   0.07  -0.03
    31   1     0.01   0.05   0.00    -0.03  -0.11  -0.01     0.01  -0.01   0.02
    32   1     0.03  -0.03  -0.01    -0.05   0.09   0.03     0.01   0.02  -0.00
    33   1     0.00  -0.00  -0.03    -0.01   0.02   0.06    -0.00  -0.04   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.7581              1280.3344              1309.5302
 Red. masses --      1.6085                 1.7853                 1.6109
 Frc consts  --      1.4779                 1.7242                 1.6276
 IR Inten    --      1.1141                 3.0147                 4.5494
 RamAct Fr= 1--      4.7305                 4.2800                 3.2855
  Dep-P Fr= 1--      0.5333                 0.6097                 0.6952
  Dep-U Fr= 1--      0.6957                 0.7575                 0.8202
 Alpha2 Fr= 1--      0.0198                 0.0111                 0.0031
 Beta2  Fr= 1--      0.5485                 0.5404                 0.4491
 AlphaG Fr= 1--      0.0096                 0.0166                 0.0022
 Gamma2 Fr= 1--      2.3301                 1.8621                -3.8513
 Delta2 Fr= 1--     -0.1160                 1.0697                -0.6765
 Raman1 Fr= 1--      18.922                 17.120                 13.142
 ROA1   Fr= 1--     219.976                212.995               -391.372
 CID1   Fr= 1--      11.625                 12.441                -29.780
 Raman2 Fr= 1--       6.582                  6.484                  5.389
 ROA2   Fr= 1--      56.849                 36.134                -87.019
 CID2   Fr= 1--       8.638                  5.573                -16.146
 Raman3 Fr= 1--      13.163                 12.969                 10.779
 ROA3   Fr= 1--     219.976                212.995               -391.372
 CID3   Fr= 1--      16.711                 16.424                -36.309
 RC180  Fr= 1--       0.391                  0.515                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.03    -0.04  -0.00  -0.02    -0.03   0.00  -0.03
     2   6    -0.05   0.01  -0.09     0.01  -0.01   0.02     0.00  -0.02   0.03
     3   6    -0.01  -0.02   0.03     0.03   0.03  -0.03     0.03   0.02  -0.02
     4   6    -0.04   0.01  -0.04     0.07  -0.05   0.11     0.01  -0.04   0.09
     5   6     0.03   0.01   0.01    -0.00   0.02  -0.03    -0.02   0.01  -0.03
     6   6    -0.03  -0.02   0.03     0.01   0.02  -0.03     0.03   0.02  -0.02
     7   6     0.01  -0.01   0.06    -0.00   0.00  -0.00    -0.01   0.00  -0.00
     8   6     0.02   0.03  -0.14     0.00   0.00  -0.02    -0.00  -0.00  -0.00
     9   6    -0.01  -0.01   0.04    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.01  -0.00   0.09    -0.00   0.00   0.01     0.00   0.00   0.01
    11   6     0.02  -0.00   0.01    -0.16   0.01  -0.01    -0.05  -0.06  -0.06
    12   6    -0.00  -0.00  -0.00     0.02   0.06   0.04     0.05  -0.11  -0.03
    13   8     0.00   0.00   0.00    -0.02  -0.04   0.03     0.01   0.05  -0.03
    14   8     0.00   0.00   0.00     0.02   0.01  -0.04    -0.03   0.00   0.05
    15   1     0.19  -0.04   0.16     0.04  -0.02   0.05     0.08  -0.01   0.06
    16   1     0.11   0.04  -0.00     0.10   0.05  -0.05     0.09   0.06  -0.04
    17   1     0.05   0.00   0.03    -0.22   0.04  -0.21    -0.12   0.02  -0.11
    18   1     0.01  -0.02   0.02    -0.20  -0.08   0.02    -0.12  -0.05   0.02
    19   1     0.53  -0.16  -0.17     0.11  -0.03  -0.02     0.11  -0.03  -0.02
    20   1    -0.37   0.21   0.15    -0.14   0.02   0.02    -0.04  -0.01   0.00
    21   1     0.05   0.27  -0.11     0.00   0.07  -0.01     0.06   0.06  -0.01
    22   1    -0.03  -0.04  -0.12    -0.00  -0.00  -0.02     0.01   0.00   0.00
    23   1     0.13   0.04   0.01     0.01   0.00   0.00    -0.01  -0.00  -0.00
    24   1    -0.08   0.04  -0.10    -0.01   0.01  -0.01     0.01   0.00   0.00
    25   1    -0.04   0.16  -0.13    -0.01   0.02  -0.02    -0.01   0.01  -0.01
    26   1     0.01  -0.32   0.01    -0.00  -0.04   0.00    -0.01  -0.02   0.00
    27   1     0.05  -0.03  -0.17     0.01  -0.00  -0.02     0.00   0.00  -0.01
    28   1     0.02   0.02   0.02     0.62  -0.01  -0.22     0.06   0.54   0.29
    29   6    -0.01  -0.00  -0.00     0.06  -0.00   0.01     0.02  -0.01   0.06
    30   1     0.00   0.00   0.00     0.03  -0.45   0.15    -0.07   0.59  -0.21
    31   1     0.02   0.01   0.01    -0.11  -0.09  -0.09    -0.06   0.14  -0.07
    32   1     0.02   0.01   0.00    -0.14  -0.07   0.01    -0.04  -0.15  -0.02
    33   1    -0.00  -0.02  -0.00     0.01   0.14   0.05     0.03   0.15  -0.08
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1318.7577              1349.4221              1363.5528
 Red. masses --      1.3452                 2.1929                 1.5531
 Frc consts  --      1.3784                 2.3527                 1.7014
 IR Inten    --      1.2367                 1.0689                 1.1628
 RamAct Fr= 1--     19.6976                 3.5640                 7.6776
  Dep-P Fr= 1--      0.2938                 0.5746                 0.5815
  Dep-U Fr= 1--      0.4542                 0.7298                 0.7354
 Alpha2 Fr= 1--      0.2058                 0.0118                 0.0242
 Beta2  Fr= 1--      1.4911                 0.4335                 0.9410
 AlphaG Fr= 1--      0.0626                -0.0477                -0.0309
 Gamma2 Fr= 1--      2.7544                -6.6355                 5.5444
 Delta2 Fr= 1--     -0.2868                -2.5420                 2.3948
 Raman1 Fr= 1--      78.790                 14.256                 30.710
 ROA1   Fr= 1--     255.245               -718.349                608.894
 CID1   Fr= 1--       3.240                -50.389                 19.827
 Raman2 Fr= 1--      17.894                  5.202                 11.292
 ROA2   Fr= 1--      68.400               -138.916                113.907
 CID2   Fr= 1--       3.823                -26.703                 10.088
 Raman3 Fr= 1--      35.787                 10.404                 22.584
 ROA3   Fr= 1--     255.245               -718.349                608.894
 CID3   Fr= 1--       7.132                -69.043                 26.962
 RC180  Fr= 1--      -0.092                  0.460                  0.471
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.06   0.01  -0.06     0.08  -0.01   0.06
     2   6     0.05  -0.03   0.02    -0.03  -0.10   0.16     0.01  -0.00   0.00
     3   6    -0.00   0.01  -0.01     0.12   0.06  -0.03    -0.03  -0.01  -0.01
     4   6    -0.00  -0.00   0.00    -0.02  -0.04   0.06     0.03   0.06  -0.09
     5   6    -0.02  -0.01   0.00    -0.10   0.01  -0.08     0.03  -0.00   0.02
     6   6     0.02   0.01  -0.00     0.07   0.04  -0.02    -0.09  -0.03   0.01
     7   6    -0.12   0.02   0.03     0.00   0.04  -0.04    -0.04   0.03  -0.02
     8   6    -0.06   0.01   0.04     0.05  -0.06  -0.03     0.05  -0.05  -0.01
     9   6     0.01  -0.01  -0.07    -0.01   0.01   0.02    -0.01   0.01   0.01
    10   6     0.01   0.00   0.01    -0.01   0.01   0.03    -0.01   0.01   0.01
    11   6     0.01   0.01   0.01     0.03   0.03   0.01    -0.06  -0.06  -0.02
    12   6    -0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.07   0.00  -0.07    -0.14   0.01  -0.12    -0.32   0.03  -0.25
    16   1    -0.10  -0.04   0.01    -0.32  -0.16   0.08    -0.24  -0.10   0.04
    17   1    -0.00  -0.01   0.02     0.32  -0.03   0.25     0.15  -0.01   0.11
    18   1     0.00  -0.02  -0.01     0.21   0.10  -0.06     0.32   0.15  -0.10
    19   1     0.50  -0.16  -0.19     0.18   0.01   0.05     0.05   0.00  -0.02
    20   1     0.33  -0.16  -0.08    -0.24  -0.06  -0.01     0.17  -0.13  -0.08
    21   1     0.60   0.18  -0.06    -0.30   0.41   0.11    -0.24   0.27   0.10
    22   1     0.04   0.03   0.12     0.03  -0.01  -0.07     0.02  -0.01  -0.03
    23   1    -0.14   0.00  -0.02     0.04  -0.05  -0.00     0.04  -0.04  -0.01
    24   1     0.16   0.02   0.09    -0.07  -0.02  -0.02    -0.02  -0.02   0.01
    25   1    -0.04  -0.03  -0.01     0.00   0.08  -0.04     0.01   0.03   0.01
    26   1    -0.05  -0.08   0.01     0.05  -0.07   0.00     0.06  -0.04  -0.01
    27   1     0.01   0.01   0.01     0.02   0.00  -0.09     0.01  -0.02  -0.05
    28   1    -0.05  -0.07  -0.03    -0.22  -0.19  -0.06     0.43   0.35   0.11
    29   6    -0.00   0.00  -0.01    -0.01  -0.01  -0.01     0.02  -0.00   0.03
    30   1     0.01  -0.04   0.02     0.00  -0.01   0.01    -0.00  -0.02   0.00
    31   1     0.01  -0.01   0.01     0.02  -0.01   0.02    -0.05   0.06  -0.06
    32   1     0.01   0.02   0.00     0.04   0.05   0.01    -0.05  -0.05   0.01
    33   1    -0.00  -0.02   0.01    -0.01  -0.01  -0.00     0.02   0.08  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.1878              1374.6008              1392.5982
 Red. masses --      1.4803                 1.3010                 1.9967
 Frc consts  --      1.6422                 1.4483                 2.2814
 IR Inten    --      0.7810                 3.4318                45.6123
 RamAct Fr= 1--      6.4199                13.6635                 4.8842
  Dep-P Fr= 1--      0.2487                 0.4868                 0.7487
  Dep-U Fr= 1--      0.3983                 0.6549                 0.8563
 Alpha2 Fr= 1--      0.0764                 0.0717                 0.0001
 Beta2  Fr= 1--      0.4262                 1.4913                 0.6970
 AlphaG Fr= 1--     -0.1670                -0.0915                 0.0037
 Gamma2 Fr= 1--     -3.1328                -0.4405                 1.5552
 Delta2 Fr= 1--     -0.0313                 1.7350                -1.6849
 Raman1 Fr= 1--      25.680                 54.654                 19.537
 ROA1   Fr= 1--    -301.746                 13.233                 95.379
 CID1   Fr= 1--     -11.750                  0.242                  4.882
 Raman2 Fr= 1--       5.114                 17.896                  8.364
 ROA2   Fr= 1--     -74.936                -24.451                 50.803
 CID2   Fr= 1--     -14.653                 -1.366                  6.074
 Raman3 Fr= 1--      10.228                 35.791                 16.729
 ROA3   Fr= 1--    -301.746                 13.233                 95.379
 CID3   Fr= 1--     -29.502                  0.370                  5.701
 RC180  Fr= 1--      -0.203                  0.310                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.00    -0.00   0.01  -0.01    -0.03  -0.00  -0.02
     2   6    -0.03   0.01   0.00     0.01   0.03  -0.04    -0.00   0.00   0.00
     3   6     0.00  -0.00   0.01    -0.04  -0.02   0.01     0.02   0.00   0.00
     4   6     0.00   0.01  -0.02    -0.01  -0.02   0.02    -0.01   0.00   0.02
     5   6     0.01   0.00  -0.00     0.03  -0.00   0.02    -0.01  -0.01   0.00
     6   6    -0.02  -0.01   0.00     0.01   0.01  -0.01     0.03   0.01  -0.01
     7   6     0.11  -0.01  -0.01    -0.04   0.03  -0.01    -0.00   0.00   0.00
     8   6    -0.12  -0.10  -0.00     0.04  -0.11  -0.01     0.00  -0.00  -0.00
     9   6     0.01   0.03  -0.04    -0.02   0.02   0.00    -0.00   0.00   0.00
    10   6     0.04  -0.01   0.03    -0.01   0.01   0.03    -0.00  -0.00   0.00
    11   6    -0.01  -0.01  -0.00     0.02   0.02   0.01     0.08  -0.11  -0.10
    12   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.11   0.18   0.05
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.03   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.03  -0.03  -0.03
    15   1    -0.04   0.02  -0.02     0.18  -0.02   0.12     0.08  -0.02   0.07
    16   1    -0.03  -0.01   0.01     0.22   0.11  -0.06     0.01   0.02   0.02
    17   1     0.06  -0.00   0.04    -0.21   0.02  -0.16    -0.03   0.00  -0.00
    18   1     0.07   0.04  -0.01    -0.19  -0.09   0.04    -0.11  -0.06   0.03
    19   1    -0.40   0.14   0.16    -0.16   0.05  -0.01    -0.01   0.00  -0.00
    20   1    -0.29   0.13   0.08     0.36  -0.21  -0.12     0.03  -0.01  -0.01
    21   1     0.55   0.42  -0.05    -0.25   0.58   0.17    -0.02   0.02   0.01
    22   1     0.11   0.04   0.08     0.07  -0.00  -0.02     0.01  -0.00  -0.00
    23   1    -0.03  -0.06  -0.04     0.07  -0.10  -0.03     0.01  -0.00  -0.00
    24   1     0.07  -0.05   0.10    -0.00  -0.04   0.07     0.00   0.00   0.01
    25   1    -0.04   0.11  -0.15     0.02   0.10  -0.03     0.01   0.02  -0.01
    26   1    -0.09   0.06   0.06     0.06  -0.04   0.01     0.01   0.01   0.00
    27   1    -0.01   0.20  -0.07     0.01   0.05  -0.09    -0.00   0.01  -0.01
    28   1     0.06   0.06   0.02    -0.14  -0.13  -0.05    -0.36   0.54   0.40
    29   6     0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.01   0.03   0.06
    30   1     0.00  -0.01   0.00    -0.00   0.02  -0.01     0.04  -0.42   0.14
    31   1    -0.01   0.01  -0.01     0.01  -0.04   0.02    -0.07   0.00   0.00
    32   1    -0.01  -0.00   0.00     0.01   0.00  -0.01     0.11  -0.17  -0.09
    33   1     0.00   0.01  -0.01    -0.01  -0.04   0.02     0.07  -0.02  -0.18
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4847              1415.9926              1423.2318
 Red. masses --      1.2586                 1.2214                 1.2349
 Frc consts  --      1.4607                 1.4429                 1.4737
 IR Inten    --      5.1203                11.0293                 6.5144
 RamAct Fr= 1--      0.1315                 1.0100                 1.4766
  Dep-P Fr= 1--      0.3791                 0.5798                 0.4127
  Dep-U Fr= 1--      0.5497                 0.7340                 0.5843
 Alpha2 Fr= 1--      0.0010                 0.0032                 0.0104
 Beta2  Fr= 1--      0.0120                 0.1236                 0.1438
 AlphaG Fr= 1--     -0.0024                 0.0061                -0.0029
 Gamma2 Fr= 1--      0.0594                -0.0734                 0.0025
 Delta2 Fr= 1--     -0.0145                 0.0961                 0.1425
 Raman1 Fr= 1--       0.526                  4.040                  5.906
 ROA1   Fr= 1--       5.241                 -3.975                  4.802
 CID1   Fr= 1--       9.963                 -0.984                  0.813
 Raman2 Fr= 1--       0.145                  1.483                  1.726
 ROA2   Fr= 1--       1.543                 -2.531                 -1.079
 CID2   Fr= 1--      10.670                 -1.707                 -0.625
 Raman3 Fr= 1--       0.289                  2.965                  3.451
 ROA3   Fr= 1--       5.241                 -3.975                  4.802
 CID3   Fr= 1--      18.124                 -1.340                  1.391
 RC180  Fr= 1--       0.099                  0.468                  0.169
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00   0.01  -0.01     0.01  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.02   0.00   0.00
     8   6     0.02   0.03  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
     9   6    -0.10  -0.04  -0.01    -0.00   0.00  -0.00     0.09   0.02   0.02
    10   6    -0.02  -0.09   0.01     0.00   0.00  -0.00    -0.01  -0.10   0.02
    11   6    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.01   0.03  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.00  -0.00     0.02  -0.01   0.02    -0.00  -0.00  -0.00
    16   1    -0.01  -0.01   0.00    -0.01  -0.01   0.01     0.00   0.00  -0.00
    17   1     0.01  -0.00   0.01    -0.03  -0.01  -0.02    -0.01   0.00  -0.01
    18   1     0.01   0.00  -0.00    -0.04  -0.02   0.01     0.00  -0.00  -0.00
    19   1     0.07  -0.03  -0.01    -0.02   0.00  -0.01     0.10  -0.02   0.01
    20   1     0.01   0.02   0.00     0.02  -0.01  -0.00     0.07   0.02  -0.01
    21   1    -0.05  -0.09  -0.01    -0.00   0.01   0.00    -0.02  -0.02  -0.01
    22   1     0.39  -0.07   0.12     0.00  -0.00   0.00    -0.36   0.05  -0.11
    23   1     0.39   0.18  -0.09     0.01  -0.00  -0.00    -0.37  -0.10   0.10
    24   1     0.30   0.25   0.15     0.00  -0.00   0.01    -0.27  -0.18  -0.20
    25   1     0.17   0.29  -0.14    -0.00  -0.00   0.00     0.16   0.33  -0.21
    26   1     0.11   0.36   0.07    -0.00  -0.01  -0.00     0.07   0.41   0.10
    27   1    -0.11   0.34  -0.11     0.00  -0.01   0.00    -0.12   0.37  -0.13
    28   1     0.01  -0.01  -0.01    -0.04   0.03   0.02     0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.02  -0.13  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00   0.01  -0.00     0.01  -0.05   0.02     0.00   0.00   0.00
    31   1     0.00   0.00  -0.00     0.22   0.54  -0.11     0.00   0.01  -0.00
    32   1    -0.00   0.00   0.00     0.09   0.47   0.32     0.00   0.01   0.01
    33   1    -0.00   0.00   0.00    -0.14   0.52   0.04    -0.00   0.01   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.1315              1485.4457              1490.0566
 Red. masses --      2.4817                 1.0759                 1.0464
 Frc consts  --      3.1173                 1.3987                 1.3689
 IR Inten    --      8.7795                 0.4975                 1.5185
 RamAct Fr= 1--      0.5307                 1.5663                10.9431
  Dep-P Fr= 1--      0.7484                 0.6433                 0.7184
  Dep-U Fr= 1--      0.8561                 0.7829                 0.8361
 Alpha2 Fr= 1--      0.0000                 0.0030                 0.0060
 Beta2  Fr= 1--      0.0757                 0.2044                 1.5250
 AlphaG Fr= 1--     -0.0026                -0.0293                 0.0093
 Gamma2 Fr= 1--      2.4136                -1.0772                -2.1857
 Delta2 Fr= 1--     -1.1619                 0.3251                 0.6966
 Raman1 Fr= 1--       2.123                  6.265                 43.772
 ROA1   Fr= 1--     194.529                -93.007               -187.535
 CID1   Fr= 1--      91.645                -14.845                 -4.284
 Raman2 Fr= 1--       0.909                  2.453                 18.300
 ROA2   Fr= 1--      67.222                -28.453                -58.030
 CID2   Fr= 1--      73.985                -11.601                 -3.171
 Raman3 Fr= 1--       1.817                  4.905                 36.600
 ROA3   Fr= 1--     194.529                -93.007               -187.535
 CID3   Fr= 1--     107.049                -18.960                 -5.124
 RC180  Fr= 1--       0.712                  0.566                  0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.04  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.08   0.13     0.01  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.13  -0.01  -0.06     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.02  -0.08   0.13     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.14   0.04   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.13  -0.01  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.01   0.01  -0.04    -0.04  -0.04  -0.03    -0.01  -0.01  -0.01
     8   6    -0.00   0.01  -0.00     0.01   0.01   0.00     0.01   0.00  -0.00
     9   6    -0.00  -0.01   0.00    -0.02   0.03   0.01     0.01  -0.00  -0.04
    10   6    -0.00   0.00   0.00     0.03  -0.00  -0.00    -0.00   0.01   0.03
    11   6     0.04   0.02  -0.03    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.01   0.02   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.20   0.09  -0.28    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.31   0.21  -0.18    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1    -0.24   0.09  -0.31     0.00  -0.00   0.01     0.00  -0.00   0.01
    18   1     0.28   0.19  -0.18    -0.02  -0.01   0.01    -0.01  -0.00   0.01
    19   1     0.18  -0.00   0.10     0.16   0.02   0.42     0.06   0.01   0.18
    20   1    -0.22   0.09   0.02     0.18   0.42   0.01     0.07   0.18   0.01
    21   1     0.02  -0.02  -0.01    -0.03  -0.00   0.01    -0.05  -0.03   0.00
    22   1     0.04  -0.01  -0.00    -0.07  -0.05  -0.30    -0.19   0.13   0.44
    23   1    -0.02   0.04   0.01     0.09  -0.38  -0.07     0.21   0.22  -0.04
    24   1     0.00   0.04  -0.04     0.16   0.04   0.19    -0.12  -0.35   0.18
    25   1    -0.03  -0.02  -0.01    -0.10   0.10  -0.24    -0.30  -0.15  -0.17
    26   1     0.01   0.01   0.00    -0.35   0.08   0.08     0.14   0.21   0.03
    27   1     0.02  -0.02  -0.04     0.02  -0.16   0.18     0.15  -0.18  -0.38
    28   1    -0.35  -0.09   0.00     0.01   0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.01  -0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.01  -0.04   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03   0.01   0.02     0.00   0.00  -0.00    -0.02   0.01  -0.02
    32   1     0.08   0.03   0.01    -0.01  -0.00   0.00    -0.02   0.01   0.01
    33   1    -0.01   0.06  -0.04    -0.00  -0.00   0.01     0.01  -0.02  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.2168              1497.6543              1498.9530
 Red. masses --      1.0465                 1.0756                 1.0553
 Frc consts  --      1.3730                 1.4214                 1.3970
 IR Inten    --      5.0106                 3.7138                 8.1044
 RamAct Fr= 1--      4.5117                 2.3805                 5.3075
  Dep-P Fr= 1--      0.6102                 0.7369                 0.6564
  Dep-U Fr= 1--      0.7579                 0.8485                 0.7926
 Alpha2 Fr= 1--      0.0116                 0.0005                 0.0089
 Beta2  Fr= 1--      0.5699                 0.3366                 0.7011
 AlphaG Fr= 1--      0.0016                -0.0052                 0.0685
 Gamma2 Fr= 1--     -0.4340                -1.0414                 1.8282
 Delta2 Fr= 1--     -1.2188                 0.3111                 1.6464
 Raman1 Fr= 1--      18.047                  9.522                 21.230
 ROA1   Fr= 1--     -80.662                -90.017                228.191
 CID1   Fr= 1--      -4.470                 -9.454                 10.748
 Raman2 Fr= 1--       6.839                  4.040                  8.413
 ROA2   Fr= 1--      -0.665                -27.482                 30.706
 CID2   Fr= 1--      -0.097                 -6.803                  3.650
 Raman3 Fr= 1--      13.678                  8.079                 16.827
 ROA3   Fr= 1--     -80.662                -90.017                228.191
 CID3   Fr= 1--      -5.897                -11.142                 13.561
 RC180  Fr= 1--       0.516                  0.697                  0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00  -0.01    -0.00  -0.00   0.01
     3   6     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.01  -0.01    -0.01  -0.00   0.00
     5   6     0.01  -0.00   0.01    -0.01  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.01   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.03  -0.03  -0.04     0.00   0.01   0.00
     8   6     0.00   0.00  -0.00    -0.02  -0.02   0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.01  -0.02   0.01    -0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.03   0.01  -0.00     0.00  -0.00   0.00
    11   6    -0.02   0.00  -0.01     0.00  -0.00  -0.00     0.02  -0.01  -0.03
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    13   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.02  -0.00  -0.01     0.01  -0.00   0.01     0.00   0.00  -0.00
    16   1    -0.03  -0.02   0.01    -0.00  -0.00   0.00     0.01   0.01  -0.00
    17   1    -0.01  -0.00  -0.01     0.01  -0.00   0.01     0.00   0.01   0.01
    18   1    -0.02  -0.01   0.00    -0.03  -0.01   0.01     0.01   0.00  -0.01
    19   1     0.00   0.00  -0.00     0.10   0.04   0.45    -0.01  -0.01  -0.06
    20   1     0.00   0.00   0.00     0.18   0.42   0.01    -0.03  -0.06  -0.00
    21   1    -0.00  -0.00  -0.00     0.03   0.07   0.01    -0.00  -0.01  -0.00
    22   1    -0.01   0.01   0.02     0.20  -0.04  -0.01    -0.01   0.00   0.01
    23   1     0.01   0.01  -0.00    -0.20   0.19   0.08     0.02  -0.01  -0.01
    24   1    -0.00  -0.02   0.01    -0.05   0.19  -0.26     0.00  -0.02   0.02
    25   1    -0.02  -0.00  -0.01     0.12  -0.12   0.29    -0.02   0.02  -0.04
    26   1    -0.00   0.01   0.00     0.35  -0.15  -0.10    -0.05   0.02   0.02
    27   1     0.01  -0.01  -0.01    -0.03   0.16  -0.16     0.01  -0.03   0.02
    28   1     0.04   0.06   0.00     0.01   0.01   0.00    -0.06   0.07   0.04
    29   6    -0.04   0.00  -0.03     0.00   0.00  -0.01     0.03   0.01  -0.04
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.02   0.01
    31   1     0.48  -0.17   0.48     0.04   0.04   0.01     0.22   0.32   0.00
    32   1     0.33  -0.28  -0.27    -0.07  -0.03  -0.01    -0.60  -0.18   0.00
    33   1    -0.17   0.35   0.28    -0.02  -0.02   0.08    -0.12  -0.24   0.60
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.3647              1511.1715              1551.6598
 Red. masses --      1.0528                 1.0511                 2.4478
 Frc consts  --      1.4038                 1.4142                 3.4724
 IR Inten    --      4.8214                12.3630                25.9715
 RamAct Fr= 1--      7.8390                 0.9874                 0.6598
  Dep-P Fr= 1--      0.7302                 0.4516                 0.6071
  Dep-U Fr= 1--      0.8441                 0.6222                 0.7556
 Alpha2 Fr= 1--      0.0027                 0.0060                 0.0017
 Beta2  Fr= 1--      1.1028                 0.1024                 0.0831
 AlphaG Fr= 1--     -0.0080                 0.0038                -0.0037
 Gamma2 Fr= 1--      0.8804                 1.4789                -0.6442
 Delta2 Fr= 1--     -0.0543                 0.3891                -0.0834
 Raman1 Fr= 1--      31.356                  3.950                  2.639
 ROA1   Fr= 1--      82.784                154.427                -64.514
 CID1   Fr= 1--       2.640                 39.099                -24.446
 Raman2 Fr= 1--      13.233                  1.229                  0.997
 ROA2   Fr= 1--      21.565                 32.381                -14.794
 CID2   Fr= 1--       1.630                 26.354                -14.839
 Raman3 Fr= 1--      26.467                  2.457                  1.994
 ROA3   Fr= 1--      82.784                154.427                -64.514
 CID3   Fr= 1--       3.128                 62.841                -32.355
 RC180  Fr= 1--       0.688                  0.244                  0.511
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.08   0.04  -0.11
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.15   0.03   0.04
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.10  -0.07   0.07
     4   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.15   0.03   0.03
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.09   0.03  -0.11
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.10  -0.07   0.07
     7   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.01    -0.03  -0.01  -0.01
     8   6    -0.03   0.03  -0.01     0.02  -0.02  -0.03    -0.00   0.00   0.00
     9   6     0.00   0.03  -0.01     0.01  -0.01  -0.02     0.00  -0.00  -0.00
    10   6    -0.03  -0.01  -0.01     0.01  -0.01  -0.03     0.00   0.00   0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03  -0.01  -0.01
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01   0.00  -0.01     0.00  -0.00   0.00     0.39  -0.01   0.24
    16   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.41   0.17  -0.05
    17   1     0.00   0.00  -0.00     0.01   0.00   0.00     0.41  -0.01   0.27
    18   1     0.01   0.01  -0.00     0.01   0.00  -0.01     0.41   0.16  -0.05
    19   1     0.03  -0.01   0.01     0.05   0.01   0.12    -0.04  -0.01  -0.03
    20   1    -0.04   0.04   0.01     0.03   0.12   0.01    -0.03  -0.03  -0.01
    21   1     0.02  -0.03  -0.03    -0.06   0.07  -0.01     0.01  -0.00   0.00
    22   1    -0.31   0.06  -0.06    -0.06   0.10   0.41    -0.00  -0.00  -0.01
    23   1     0.28  -0.35  -0.12     0.09   0.33   0.01    -0.00  -0.01  -0.00
    24   1     0.11  -0.26   0.40    -0.17  -0.22  -0.00     0.01   0.01   0.00
    25   1     0.26  -0.05   0.35     0.28   0.23   0.06    -0.02  -0.01  -0.01
    26   1     0.32  -0.20  -0.11    -0.32  -0.21  -0.00     0.00   0.01   0.00
    27   1    -0.10   0.28  -0.02    -0.14   0.10   0.50     0.01  -0.01  -0.01
    28   1    -0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.03   0.00   0.00
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    31   1     0.01   0.01   0.00     0.00  -0.00   0.00     0.05  -0.01   0.04
    32   1    -0.02  -0.00   0.00     0.00   0.00  -0.00     0.04  -0.02  -0.02
    33   1    -0.00  -0.01   0.02    -0.00   0.00  -0.00    -0.02   0.06   0.02
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.0913              1658.1602              1805.8331
 Red. masses --      6.0212                 5.7997                 9.5442
 Frc consts  --      9.2884                 9.3952                18.3378
 IR Inten    --      0.0360                 1.3109               271.9561
 RamAct Fr= 1--      2.1102               132.1693                17.5416
  Dep-P Fr= 1--      0.6626                 0.4693                 0.1706
  Dep-U Fr= 1--      0.7971                 0.6388                 0.2915
 Alpha2 Fr= 1--      0.0033                 0.7481                 0.2572
 Beta2  Fr= 1--      0.2803                14.0724                 0.8523
 AlphaG Fr= 1--      0.0289                -0.3127                -0.4334
 Gamma2 Fr= 1--      0.3390                -1.2777                -1.3452
 Delta2 Fr= 1--      0.0435                 0.4064                 1.0061
 Raman1 Fr= 1--       8.441                528.677                 70.167
 ROA1   Fr= 1--      33.939               -109.653                -96.943
 CID1   Fr= 1--       4.021                 -0.207                 -1.382
 Raman2 Fr= 1--       3.364                168.869                 10.227
 ROA2   Fr= 1--       7.788                -33.915                -40.333
 CID2   Fr= 1--       2.315                 -0.201                 -3.944
 Raman3 Fr= 1--       6.728                337.738                 20.455
 ROA3   Fr= 1--      33.939               -109.653                -96.943
 CID3   Fr= 1--       5.045                 -0.325                 -4.739
 RC180  Fr= 1--       0.594                  0.278                 -0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.09   0.20     0.27   0.01   0.13     0.01   0.00   0.00
     2   6     0.03   0.18  -0.29    -0.20  -0.04  -0.04    -0.00  -0.00   0.00
     3   6     0.11   0.13  -0.16    -0.28  -0.09   0.00    -0.01  -0.00   0.00
     4   6    -0.03  -0.18   0.30     0.18   0.04   0.04     0.02   0.01   0.00
     5   6    -0.08   0.09  -0.20    -0.26  -0.02  -0.13    -0.01  -0.00  -0.00
     6   6    -0.11  -0.12   0.16     0.29   0.10  -0.00     0.01   0.00  -0.00
     7   6    -0.01  -0.02   0.03     0.03   0.01   0.01     0.00   0.00   0.00
     8   6    -0.00  -0.01   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.02   0.02  -0.03    -0.02  -0.01  -0.01     0.02   0.01  -0.05
    12   6    -0.00   0.01   0.01     0.00   0.02  -0.01    -0.27  -0.32   0.57
    13   8     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.15   0.23  -0.35
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.02   0.03  -0.05
    15   1    -0.29  -0.05  -0.08    -0.25   0.08  -0.27    -0.00   0.00  -0.01
    16   1    -0.28  -0.06  -0.07     0.28   0.17  -0.14     0.02   0.01  -0.01
    17   1     0.31   0.06   0.09     0.25  -0.07   0.29    -0.03   0.01  -0.00
    18   1     0.29   0.06   0.06    -0.29  -0.17   0.15    -0.01  -0.01   0.00
    19   1    -0.16   0.01  -0.01     0.03   0.00  -0.01     0.00   0.00  -0.00
    20   1     0.24   0.03  -0.01     0.01  -0.01   0.01    -0.00  -0.00   0.00
    21   1     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00   0.00  -0.00
    22   1     0.02  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    23   1    -0.02   0.01   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    24   1    -0.01   0.01  -0.02    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    25   1    -0.01  -0.00  -0.01     0.01   0.01  -0.00    -0.00   0.00  -0.00
    26   1     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.01  -0.01    -0.00   0.00   0.01     0.00  -0.00   0.00
    28   1    -0.27  -0.07  -0.01    -0.02   0.00   0.01     0.17  -0.09  -0.13
    29   6     0.00  -0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
    30   1     0.00  -0.01   0.01     0.00   0.00  -0.00     0.03  -0.44   0.16
    31   1     0.02   0.01   0.01     0.02   0.01   0.01     0.03   0.11  -0.02
    32   1    -0.01  -0.02  -0.01     0.02   0.00   0.00    -0.04   0.02   0.04
    33   1    -0.01   0.00   0.02    -0.01   0.03   0.00    -0.03   0.01   0.03
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.8381              3018.7397              3020.5420
 Red. masses --      1.0813                 1.0504                 1.0403
 Frc consts  --      5.7446                 5.6395                 5.5920
 IR Inten    --      3.9828                 8.8475                41.8534
 RamAct Fr= 1--    131.4742                12.8958                25.7993
  Dep-P Fr= 1--      0.1889                 0.6608                 0.2908
  Dep-U Fr= 1--      0.3177                 0.7958                 0.4506
 Alpha2 Fr= 1--      1.8386                 0.0205                 0.2720
 Beta2  Fr= 1--      6.9626                 1.7104                 1.9374
 AlphaG Fr= 1--     -0.9485                -0.0610                 0.1344
 Gamma2 Fr= 1--     -9.3719                 3.4168                -1.1092
 Delta2 Fr= 1--     -5.8317                 2.2120                 3.2521
 Raman1 Fr= 1--     525.897                 51.583                103.197
 ROA1   Fr= 1--   -1086.314                398.792                 -2.419
 CID1   Fr= 1--      -2.066                  7.731                 -0.023
 Raman2 Fr= 1--      83.551                 20.524                 23.248
 ROA2   Fr= 1--    -178.272                 64.307                -52.639
 CID2   Fr= 1--      -2.134                  3.133                 -2.264
 Raman3 Fr= 1--     167.103                 41.049                 46.496
 ROA3   Fr= 1--   -1086.314                398.792                 -2.419
 CID3   Fr= 1--      -6.501                  9.715                 -0.052
 RC180  Fr= 1--      -0.365                  0.592                 -0.099
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.02    -0.02  -0.04  -0.03     0.01   0.02   0.02
     8   6    -0.01   0.01  -0.08    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01     0.03   0.01   0.01     0.03   0.01   0.01
    10   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.03  -0.02
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.01   0.01     0.12   0.54  -0.12    -0.06  -0.25   0.06
    20   1    -0.04   0.04  -0.23     0.08  -0.10   0.52    -0.04   0.05  -0.26
    21   1     0.18  -0.15   0.91     0.02  -0.01   0.09     0.00   0.00  -0.00
    22   1     0.00   0.04  -0.01    -0.04  -0.32   0.08    -0.04  -0.29   0.07
    23   1    -0.03   0.02  -0.12    -0.09   0.06  -0.41    -0.08   0.06  -0.39
    24   1     0.02  -0.02  -0.02    -0.18   0.16   0.16    -0.19   0.16   0.17
    25   1     0.01  -0.00  -0.00    -0.01   0.01   0.01     0.23  -0.19  -0.20
    26   1    -0.03   0.03  -0.17    -0.01   0.01  -0.07     0.10  -0.10   0.53
    27   1    -0.00   0.00   0.00     0.02   0.01   0.01    -0.27  -0.07  -0.07
    28   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9179              3047.2492              3056.6274
 Red. masses --      1.0435                 1.0356                 1.1034
 Frc consts  --      5.6333                 5.6656                 6.0740
 IR Inten    --     47.8978                23.7571                15.4242
 RamAct Fr= 1--    414.5195               209.4319                27.9029
  Dep-P Fr= 1--      0.0092                 0.0616                 0.7252
  Dep-U Fr= 1--      0.0182                 0.1160                 0.8407
 Alpha2 Fr= 1--      9.0162                 4.0240                 0.0119
 Beta2  Fr= 1--      1.2556                 4.0502                 3.9097
 AlphaG Fr= 1--      1.0206                -0.3724                 0.1148
 Gamma2 Fr= 1--      1.5517                -0.2371                 0.0815
 Delta2 Fr= 1--     -0.1765                 3.3200                -1.9156
 Raman1 Fr= 1--    1658.078                837.728                111.612
 ROA1   Fr= 1--     143.315                 83.483                -53.475
 CID1   Fr= 1--       0.086                  0.100                 -0.479
 Raman2 Fr= 1--      15.068                 48.602                 46.917
 ROA2   Fr= 1--      38.653                -32.249                 17.281
 CID2   Fr= 1--       2.565                 -0.664                  0.368
 Raman3 Fr= 1--      30.135                 97.204                 93.833
 ROA3   Fr= 1--     143.315                 83.483                -53.475
 CID3   Fr= 1--       4.756                  0.859                 -0.570
 RC180  Fr= 1--      -0.964                 -0.768                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.01  -0.03  -0.02     0.00   0.00  -0.00     0.00   0.06  -0.07
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   6    -0.02  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.01
    10   6    -0.00   0.03  -0.02    -0.00  -0.00   0.00    -0.00   0.00   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1     0.08   0.35  -0.07    -0.00  -0.00   0.00    -0.15  -0.64   0.12
    20   1     0.04  -0.05   0.26    -0.00   0.00  -0.00     0.12  -0.10   0.68
    21   1     0.03  -0.03   0.17    -0.00   0.00  -0.00     0.02  -0.02   0.13
    22   1     0.04   0.30  -0.07    -0.00  -0.00   0.00     0.01   0.12  -0.02
    23   1     0.07  -0.05   0.33    -0.00   0.00  -0.00    -0.02   0.01  -0.10
    24   1     0.18  -0.16  -0.16    -0.00   0.00   0.00     0.02  -0.02  -0.02
    25   1     0.22  -0.19  -0.20     0.00  -0.00  -0.00     0.05  -0.04  -0.04
    26   1     0.09  -0.09   0.48    -0.00   0.00  -0.00    -0.01   0.01  -0.04
    27   1    -0.28  -0.08  -0.07     0.00   0.00   0.00    -0.04  -0.01  -0.01
    28   1     0.00  -0.00   0.00    -0.01   0.02  -0.03     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.02  -0.04  -0.02     0.00   0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.36   0.18   0.42     0.00  -0.00  -0.00
    32   1    -0.00   0.00  -0.00    -0.09   0.23  -0.38     0.00  -0.00   0.00
    33   1     0.00   0.00   0.00     0.64   0.10   0.18    -0.00  -0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.7238              3077.9382              3084.3837
 Red. masses --      1.0840                 1.0995                 1.0994
 Frc consts  --      6.0222                 6.1369                 6.1622
 IR Inten    --      6.9378                10.1333                56.3896
 RamAct Fr= 1--     65.5576                21.7989               109.3305
  Dep-P Fr= 1--      0.1916                 0.7325                 0.4501
  Dep-U Fr= 1--      0.3216                 0.8456                 0.6208
 Alpha2 Fr= 1--      0.9103                 0.0065                 0.6699
 Beta2  Fr= 1--      3.5134                 3.0721                11.3120
 AlphaG Fr= 1--     -0.3419                 0.0358                 1.2026
 Gamma2 Fr= 1--     -2.9435                 8.4216                -4.7823
 Delta2 Fr= 1--     -1.8327                -3.7634                14.8068
 Raman1 Fr= 1--     262.230                 87.195                437.322
 ROA1   Fr= 1--    -341.223                688.042                 14.719
 CID1   Fr= 1--      -1.301                  7.891                  0.034
 Raman2 Fr= 1--      42.161                 36.865                135.744
 ROA2   Fr= 1--     -55.983                232.225               -233.229
 CID2   Fr= 1--      -1.328                  6.299                 -1.718
 Raman3 Fr= 1--      84.323                 73.730                271.487
 ROA3   Fr= 1--    -341.223                688.042                 14.719
 CID3   Fr= 1--      -4.047                  9.332                  0.054
 RC180  Fr= 1--      -0.357                  0.691                  0.242
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.01   0.01
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.02
     9   6     0.00  -0.00   0.00     0.01   0.02  -0.07    -0.00  -0.04   0.05
    10   6    -0.00   0.00   0.00    -0.01   0.02   0.06    -0.01   0.02   0.06
    11   6    -0.02   0.04  -0.07     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.00   0.01
    16   1    -0.01   0.01  -0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    19   1    -0.00  -0.00   0.00    -0.01  -0.03   0.00     0.02   0.09  -0.02
    20   1    -0.00   0.00  -0.00     0.00  -0.01   0.03    -0.02   0.01  -0.11
    21   1    -0.00   0.00  -0.00     0.01  -0.00   0.03    -0.04   0.03  -0.19
    22   1     0.00   0.00  -0.00    -0.05  -0.35   0.07     0.07   0.47  -0.10
    23   1    -0.00   0.00  -0.00     0.12  -0.07   0.53    -0.10   0.05  -0.43
    24   1     0.00  -0.00  -0.00    -0.23   0.21   0.19     0.06  -0.05  -0.04
    25   1     0.00  -0.00  -0.00     0.32  -0.27  -0.27     0.34  -0.29  -0.28
    26   1    -0.00   0.00  -0.00    -0.07   0.08  -0.38    -0.08   0.09  -0.42
    27   1     0.00   0.00   0.00    -0.17  -0.04  -0.02    -0.15  -0.04  -0.02
    28   1     0.21  -0.50   0.82    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   6     0.00  -0.01   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.03   0.08  -0.14     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   1    -0.04  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3089.9394              3103.6399              3110.8121
 Red. masses --      1.1014                 1.1002                 1.1023
 Frc consts  --      6.1956                 6.2441                 6.2850
 IR Inten    --     42.6232                33.7686                27.5861
 RamAct Fr= 1--    116.6755                50.8060                96.2633
  Dep-P Fr= 1--      0.6564                 0.6991                 0.6798
  Dep-U Fr= 1--      0.7926                 0.8229                 0.8094
 Alpha2 Fr= 1--      0.1953                 0.0451                 0.1192
 Beta2  Fr= 1--     15.4124                 6.9683                12.9858
 AlphaG Fr= 1--      0.2150                 0.1292                 0.0770
 Gamma2 Fr= 1--     -3.6823                 9.1156                -2.5217
 Delta2 Fr= 1--     -8.4586                -0.0918                -4.0490
 Raman1 Fr= 1--     466.702                203.224                385.053
 ROA1   Fr= 1--    -624.180                872.163               -371.651
 CID1   Fr= 1--      -1.337                  4.292                 -0.965
 Raman2 Fr= 1--     184.948                 83.619                155.830
 ROA2   Fr= 1--     -20.708                219.509                -28.129
 CID2   Fr= 1--      -0.112                  2.625                 -0.181
 Raman3 Fr= 1--     369.896                167.239                311.660
 ROA3   Fr= 1--    -624.180                872.163               -371.651
 CID3   Fr= 1--      -1.687                  5.215                 -1.192
 RC180  Fr= 1--       0.585                  0.646                  0.619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   6     0.03  -0.08  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.00  -0.01  -0.02    -0.09   0.00  -0.01     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.02  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.01     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1     0.01  -0.01   0.05     0.01  -0.01   0.03    -0.00   0.00  -0.00
    22   1     0.08   0.55  -0.14    -0.00  -0.02   0.01    -0.00  -0.00   0.00
    23   1     0.04  -0.04   0.11     0.00   0.00   0.01    -0.00   0.00  -0.00
    24   1    -0.50   0.42   0.43     0.02  -0.02  -0.02    -0.00   0.00   0.00
    25   1    -0.09   0.08   0.08     0.26  -0.24  -0.25    -0.00   0.00   0.00
    26   1     0.02  -0.03   0.13     0.01  -0.03   0.17    -0.00   0.00  -0.00
    27   1     0.09   0.02   0.02     0.82   0.25   0.19    -0.01  -0.00  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.03   0.04
    29   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.09   0.02   0.01
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.00   0.00   0.00     0.01  -0.00  -0.01     0.41  -0.22  -0.50
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.10   0.16
    33   1     0.00   0.00   0.00     0.01   0.00   0.00     0.66   0.12   0.20
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3130.0229              3157.0497              3164.7600
 Red. masses --      1.1013                 1.0867                 1.0875
 Frc consts  --      6.3569                 6.3813                 6.4175
 IR Inten    --     12.6950                11.6722                11.0028
 RamAct Fr= 1--     25.8858                52.5978                49.7428
  Dep-P Fr= 1--      0.6787                 0.6912                 0.5864
  Dep-U Fr= 1--      0.8086                 0.8174                 0.7393
 Alpha2 Fr= 1--      0.0326                 0.0542                 0.1520
 Beta2  Fr= 1--      3.4884                 7.1655                 6.1291
 AlphaG Fr= 1--     -0.0136                -0.0342                 0.2173
 Gamma2 Fr= 1--      0.3277                -2.6768                 3.1860
 Delta2 Fr= 1--      1.9181                 2.6069                 0.4367
 Raman1 Fr= 1--     103.543                210.391                198.971
 ROA1   Fr= 1--      92.835               -173.556                319.832
 CID1   Fr= 1--       0.897                 -0.825                  1.607
 Raman2 Fr= 1--      41.861                 85.986                 73.549
 ROA2   Fr= 1--      -7.480                -85.099                 72.971
 CID2   Fr= 1--      -0.179                 -0.990                  0.992
 Raman3 Fr= 1--      83.723                171.971                147.098
 ROA3   Fr= 1--      92.835               -173.556                319.832
 CID3   Fr= 1--       1.109                 -1.009                  2.174
 RC180  Fr= 1--       0.617                  0.635                  0.479
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.04   0.04  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.02  -0.02   0.04    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.03
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.03  -0.07
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.45  -0.44   0.51    -0.04  -0.03   0.04
    16   1    -0.01   0.01  -0.02    -0.22   0.21  -0.50     0.01  -0.01   0.03
    17   1     0.02   0.02  -0.02    -0.02  -0.02   0.02     0.25   0.24  -0.29
    18   1     0.00  -0.00   0.01    -0.01   0.01  -0.02     0.34  -0.31   0.76
    19   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00   0.02
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
    22   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    28   1     0.03  -0.08   0.13    -0.01   0.01  -0.02     0.00   0.00  -0.00
    29   6    -0.01   0.02  -0.09     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1    -0.28   0.15   0.31     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    32   1     0.16  -0.45   0.71    -0.00   0.01  -0.01    -0.00   0.01  -0.02
    33   1     0.18   0.04   0.04    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3174.9896              3184.5904              3723.2376
 Red. masses --      1.0936                 1.0934                 1.0639
 Frc consts  --      6.4953                 6.5334                 8.6897
 IR Inten    --     16.3939                 3.7423                65.8122
 RamAct Fr= 1--    120.1208               116.7379               134.1031
  Dep-P Fr= 1--      0.1475                 0.1297                 0.2475
  Dep-U Fr= 1--      0.2570                 0.2297                 0.3969
 Alpha2 Fr= 1--      1.8689                 1.8991                 1.6003
 Beta2  Fr= 1--      5.1455                 4.4683                 8.8698
 AlphaG Fr= 1--     -0.8593                 0.1528                -0.3351
 Gamma2 Fr= 1--     -5.6805                 4.9517                -5.2376
 Delta2 Fr= 1--     -2.0706                 1.5741                 0.3626
 Raman1 Fr= 1--     480.483                466.951                536.412
 ROA1   Fr= 1--    -611.586                525.736               -491.203
 CID1   Fr= 1--      -1.273                  1.126                 -0.916
 Raman2 Fr= 1--      61.746                 53.619                106.438
 ROA2   Fr= 1--    -119.766                106.249               -128.603
 CID2   Fr= 1--      -1.940                  1.982                 -1.208
 Raman3 Fr= 1--     123.491                107.239                212.876
 ROA3   Fr= 1--    -611.586                525.736               -491.203
 CID3   Fr= 1--      -4.952                  4.902                 -2.307
 RC180  Fr= 1--      -0.486                 -0.541                 -0.206
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.03   0.02  -0.06     0.00  -0.00   0.01     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.01  -0.01     0.04   0.04  -0.05    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.02   0.01  -0.03     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.03  -0.02  -0.05
    15   1    -0.32  -0.31   0.36     0.04   0.04  -0.05    -0.00  -0.00   0.00
    16   1     0.31  -0.29   0.68    -0.03   0.03  -0.06     0.00  -0.00   0.00
    17   1    -0.07  -0.06   0.08    -0.49  -0.47   0.56     0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.01     0.18  -0.16   0.39    -0.00   0.00  -0.00
    19   1    -0.00  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1     0.01  -0.01   0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.55   0.31   0.78
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00   0.00
    32   1     0.00  -0.01   0.01     0.00  -0.01   0.02     0.00  -0.00  -0.00
    33   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1144.562897350.353507530.72542
           X            0.99997   0.00313   0.00765
           Y           -0.00333   0.99963   0.02716
           Z           -0.00756  -0.02718   0.99960
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07567     0.01178     0.01150
 Rotational constants (GHZ):           1.57680     0.24553     0.23965
 Zero-point vibrational energy     745948.1 (Joules/Mol)
                                  178.28587 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.97    54.75    64.53    79.94    87.85
          (Kelvin)            146.58   238.82   308.98   322.63   327.97
                              339.30   366.42   428.88   444.68   515.18
                              551.50   589.30   602.58   610.55   687.40
                              734.71   851.41   888.82   923.55   957.49
                             1028.79  1096.74  1148.54  1189.54  1209.73
                             1226.52  1232.23  1257.52  1291.66  1346.66
                             1373.45  1382.05  1398.16  1407.41  1460.07
                             1505.26  1559.64  1578.69  1592.72  1637.82
                             1652.25  1671.15  1717.70  1743.67  1757.97
                             1779.01  1796.68  1842.12  1884.12  1897.40
                             1941.52  1961.85  1974.27  1977.74  2003.64
                             2019.30  2037.30  2047.71  2100.80  2137.23
                             2143.86  2146.97  2154.79  2156.66  2164.45
                             2174.24  2232.49  2328.07  2385.72  2598.19
                             4320.41  4343.29  4345.89  4355.06  4384.31
                             4397.81  4418.09  4428.47  4437.74  4445.73
                             4465.45  4475.76  4503.40  4542.29  4553.38
                             4568.10  4581.92  5356.91
 
 Zero-point correction=                           0.284117 (Hartree/Particle)
 Thermal correction to Energy=                    0.299820
 Thermal correction to Enthalpy=                  0.300764
 Thermal correction to Gibbs Free Energy=         0.239319
 Sum of electronic and zero-point Energies=           -656.740229
 Sum of electronic and thermal Energies=              -656.724525
 Sum of electronic and thermal Enthalpies=            -656.723581
 Sum of electronic and thermal Free Energies=         -656.785027
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.140             58.746            129.323
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.516
 Vibrational            186.363             52.784             54.933
 Vibration     1          0.593              1.985              6.305
 Vibration     2          0.594              1.982              5.358
 Vibration     3          0.595              1.979              5.032
 Vibration     4          0.596              1.975              4.609
 Vibration     5          0.597              1.973              4.423
 Vibration     6          0.604              1.948              3.418
 Vibration     7          0.624              1.884              2.480
 Vibration     8          0.645              1.819              2.003
 Vibration     9          0.649              1.804              1.925
 Vibration    10          0.651              1.798              1.895
 Vibration    11          0.655              1.786              1.834
 Vibration    12          0.665              1.755              1.698
 Vibration    13          0.691              1.677              1.428
 Vibration    14          0.698              1.656              1.367
 Vibration    15          0.733              1.559              1.130
 Vibration    16          0.753              1.506              1.026
 Vibration    17          0.774              1.449              0.928
 Vibration    18          0.782              1.429              0.896
 Vibration    19          0.786              1.417              0.877
 Vibration    20          0.834              1.299              0.716
 Vibration    21          0.866              1.226              0.632
 Vibration    22          0.949              1.049              0.464
 Vibration    23          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.833919-110       -110.078876       -253.465979
 Total V=0       0.403258D+21         20.605583         47.446109
 Vib (Bot)       0.251604-124       -124.599282       -286.900449
 Vib (Bot)    1  0.877267D+01          0.943132          2.171641
 Vib (Bot)    2  0.543778D+01          0.735422          1.693372
 Vib (Bot)    3  0.461103D+01          0.663798          1.528452
 Vib (Bot)    4  0.371858D+01          0.570377          1.313342
 Vib (Bot)    5  0.338156D+01          0.529116          1.218336
 Vib (Bot)    6  0.201367D+01          0.303989          0.699960
 Vib (Bot)    7  0.121568D+01          0.084819          0.195304
 Vib (Bot)    8  0.923097D+00         -0.034753         -0.080021
 Vib (Bot)    9  0.880525D+00         -0.055258         -0.127237
 Vib (Bot)   10  0.864820D+00         -0.063074         -0.145234
 Vib (Bot)   11  0.833041D+00         -0.079334         -0.182672
 Vib (Bot)   12  0.764640D+00         -0.116543         -0.268350
 Vib (Bot)   13  0.638682D+00         -0.194715         -0.448348
 Vib (Bot)   14  0.612139D+00         -0.213150         -0.490797
 Vib (Bot)   15  0.512542D+00         -0.290270         -0.668372
 Vib (Bot)   16  0.470599D+00         -0.327349         -0.753749
 Vib (Bot)   17  0.432090D+00         -0.364426         -0.839122
 Vib (Bot)   18  0.419631D+00         -0.377132         -0.868379
 Vib (Bot)   19  0.412397D+00         -0.384684         -0.885768
 Vib (Bot)   20  0.350731D+00         -0.455026         -1.047736
 Vib (Bot)   21  0.318795D+00         -0.496489         -1.143207
 Vib (Bot)   22  0.254469D+00         -0.594365         -1.368576
 Vib (Bot)   23  0.237284D+00         -0.624731         -1.438496
 Vib (V=0)       0.121668D+07          6.085177         14.011639
 Vib (V=0)    1  0.928691D+01          0.967871          2.228605
 Vib (V=0)    2  0.596072D+01          0.775299          1.785192
 Vib (V=0)    3  0.513806D+01          0.710800          1.636676
 Vib (V=0)    4  0.425204D+01          0.628598          1.447400
 Vib (V=0)    5  0.391832D+01          0.593100          1.365663
 Vib (V=0)    6  0.257482D+01          0.410747          0.945779
 Vib (V=0)    7  0.181449D+01          0.258754          0.595803
 Vib (V=0)    8  0.154981D+01          0.190279          0.438135
 Vib (V=0)    9  0.151258D+01          0.179719          0.413819
 Vib (V=0)   10  0.149896D+01          0.175789          0.404769
 Vib (V=0)   11  0.147157D+01          0.167782          0.386333
 Vib (V=0)   12  0.141360D+01          0.150328          0.346143
 Vib (V=0)   13  0.131112D+01          0.117642          0.270881
 Vib (V=0)   14  0.129039D+01          0.110720          0.254943
 Vib (V=0)   15  0.121603D+01          0.084944          0.195592
 Vib (V=0)   16  0.118663D+01          0.074316          0.171119
 Vib (V=0)   17  0.116083D+01          0.064770          0.149139
 Vib (V=0)   18  0.115276D+01          0.061737          0.142156
 Vib (V=0)   19  0.114813D+01          0.059991          0.138134
 Vib (V=0)   20  0.111075D+01          0.045615          0.105033
 Vib (V=0)   21  0.109298D+01          0.038614          0.088912
 Vib (V=0)   22  0.106103D+01          0.025728          0.059240
 Vib (V=0)   23  0.105345D+01          0.022613          0.052068
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.284930D+07          6.454738         14.862583
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888877766655444433322222211     
     2        87653109877542210                           051510999986210977641184321964309841776539755429616419172118509532216065432
     3        55570140481777193                           688214982050363352499009622428877465821568462178255282184903898568456216584
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXX XXXXXXXXXXXX XXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX   X                  XX                     
     X                X    X                              X                           XX   X                  XX                     
     X                                                    X                           X    X                  X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000003950    0.000000493    0.000003928
      2        6          -0.000002634   -0.000000818   -0.000001355
      3        6          -0.000004008    0.000002802    0.000001211
      4        6           0.000007275    0.000000242    0.000001003
      5        6          -0.000000338   -0.000002106   -0.000001904
      6        6          -0.000002252    0.000001856    0.000001490
      7        6          -0.000001626    0.000002751    0.000002480
      8        6           0.000001749    0.000002742    0.000000321
      9        6           0.000004305   -0.000003614   -0.000000230
     10        6           0.000000224    0.000000674   -0.000001418
     11        6          -0.000005023   -0.000010681   -0.000004072
     12        6           0.000005907   -0.000007388   -0.000003413
     13        8          -0.000002214    0.000007560    0.000001045
     14        8          -0.000005393    0.000003572    0.000005679
     15        1           0.000000436    0.000000603   -0.000001048
     16        1           0.000000944    0.000000035   -0.000000101
     17        1          -0.000000008    0.000000207    0.000000005
     18        1           0.000000288   -0.000001043   -0.000000583
     19        1          -0.000000674   -0.000000951    0.000000981
     20        1          -0.000000981   -0.000001001   -0.000001355
     21        1          -0.000000234   -0.000003396    0.000001221
     22        1          -0.000000607   -0.000001257    0.000000368
     23        1           0.000000610   -0.000000741    0.000000531
     24        1           0.000002640   -0.000000288   -0.000000386
     25        1           0.000000532   -0.000000777   -0.000001346
     26        1           0.000000225    0.000001887   -0.000000605
     27        1          -0.000001470    0.000000592   -0.000001347
     28        1           0.000002741   -0.000000964    0.000000073
     29        6           0.000000491    0.000004169   -0.000003008
     30        1          -0.000002945    0.000005711    0.000003865
     31        1          -0.000000333   -0.000001169   -0.000000153
     32        1          -0.000001288    0.000000502   -0.000000707
     33        1          -0.000000288   -0.000000206   -0.000001170
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010681 RMS     0.000002727
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216957D+03  0.996418D+01  0.341243D+01
      2   0.996418D+01  0.139983D+03 -0.967353D+01
      3   0.341243D+01 -0.967353D+01  0.143425D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.353965D+01  0.399798D+01 -0.451654D+01
      2  -0.342259D+02 -0.279880D+01 -0.459057D+02
      3  -0.863353D+01  0.445761D+02 -0.301348D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.262786D+03 -0.255389D+02 -0.559370D+02
      2   0.126025D+03  0.306823D+02  0.346617D+02
      3   0.136761D+03 -0.514341D+01  0.212753D+02
      4   0.150602D+02 -0.870888D+02  0.582612D+01
      5  -0.789386D+01  0.728663D+01 -0.829946D+02
      6   0.124093D+02  0.357282D+02  0.188145D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.882484D+01  0.148527D+01  0.143446D+01 -0.255319D+01 -0.410858D+00
      2   0.148527D+01 -0.676876D+00  0.781838D+00 -0.410858D+00 -0.404913D+01
      3   0.143446D+01  0.781838D+00 -0.313766D+01 -0.210209D+01  0.868058D+00
                 6             7             8             9            10 
      1  -0.210209D+01  0.133597D+02  0.406542D+00  0.100660D+01 -0.293925D+02
      2   0.868058D+00  0.406542D+00 -0.135407D+01  0.140608D+01 -0.159499D+01
      3   0.711359D+00  0.100660D+01  0.140608D+01  0.130136D+01 -0.257697D+01
                11            12            13            14            15 
      1  -0.159499D+01 -0.257697D+01 -0.327865D+01 -0.408718D+01 -0.220844D+01
      2  -0.174948D+01  0.680056D+00 -0.408718D+01 -0.225765D+01 -0.648850D+00
      3   0.680056D+00 -0.258989D+01 -0.220844D+01 -0.648850D+00 -0.157781D+01
                16            17            18            19            20 
      1  -0.576599D+01 -0.233879D+01 -0.179860D+01 -0.114890D+02 -0.231676D+01
      2  -0.233879D+01 -0.547741D+00 -0.905846D+00 -0.231676D+01  0.231947D+01
      3  -0.179860D+01 -0.905846D+00 -0.980327D+00 -0.160173D+01 -0.176629D+01
                21            22            23            24            25 
      1  -0.160173D+01 -0.104807D+02  0.782267D-01 -0.521491D+00  0.720771D+01
      2  -0.176629D+01  0.782267D-01 -0.250564D+01  0.116630D+01  0.215557D+01
      3   0.572113D+00 -0.521491D+00  0.116630D+01  0.278419D+01 -0.809681D-01
                26            27            28            29            30 
      1   0.215557D+01 -0.809681D-01  0.261436D+02  0.326132D+01  0.289463D+01
      2   0.530188D+00  0.142392D+01  0.326132D+01  0.205724D+01 -0.102752D+00
      3   0.142392D+01  0.301271D+01  0.289463D+01 -0.102752D+00  0.249840D+01
                31            32            33            34            35 
      1   0.252467D+01  0.394871D+01  0.253071D+01  0.273640D+01  0.275806D+01
      2   0.394871D+01  0.172569D+01  0.137337D+01  0.275806D+01  0.178508D+01
      3   0.253071D+01  0.137337D+01  0.106212D+01  0.233279D+01 -0.431328D+00
                36            37            38            39            40 
      1   0.233279D+01 -0.782131D+01 -0.149518D+01 -0.185631D+01  0.365937D+01
      2  -0.431328D+00 -0.149518D+01  0.584079D-01 -0.721008D-01  0.110867D+01
      3   0.830568D+00 -0.185631D+01 -0.721008D-01  0.291391D+01  0.169008D+01
                41            42            43            44            45 
      1   0.110867D+01  0.169008D+01 -0.131379D+02 -0.140778D+01 -0.873802D+00
      2   0.382938D+01 -0.110178D+01 -0.140778D+01 -0.991467D-01 -0.739288D+00
      3  -0.110178D+01 -0.694620D+00 -0.873802D+00 -0.739288D+00 -0.171462D+01
                46            47            48            49            50 
      1   0.105513D+02  0.202301D+01  0.156379D+01  0.103483D+02 -0.593375D+00
      2   0.202301D+01 -0.127428D+01  0.816640D+00 -0.593375D+00  0.225715D+01
      3   0.156379D+01  0.816640D+00 -0.345607D-02  0.128749D+01 -0.166545D+01
                51            52            53            54            55 
      1   0.128749D+01 -0.699294D+01 -0.148127D+01  0.216868D-02  0.171195D+02
      2  -0.166545D+01 -0.148127D+01 -0.694674D+00 -0.118092D+01 -0.124142D+01
      3  -0.251677D+01  0.216868D-02 -0.118092D+01 -0.289784D+01 -0.131391D+00
                56            57            58            59            60 
      1  -0.124142D+01 -0.131391D+00 -0.418740D+01  0.497559D+01  0.981273D+00
      2   0.216358D+01  0.388402D+00  0.497559D+01  0.540332D+01 -0.317429D+00
      3   0.388402D+00  0.111086D+01  0.981273D+00 -0.317429D+00 -0.883709D+00
                61            62            63            64            65 
      1  -0.592099D+01  0.113024D+01  0.244351D+01 -0.327043D+01  0.410359D+01
      2   0.113024D+01 -0.155594D+01 -0.361003D+00  0.410359D+01 -0.188380D+01
      3   0.244351D+01 -0.361003D+00  0.553012D+01  0.119905D+01 -0.459728D+00
                66            67            68            69            70 
      1   0.119905D+01  0.110206D+02 -0.307940D+01 -0.471056D+00  0.806299D+01
      2  -0.459728D+00 -0.307940D+01 -0.428638D+01  0.595282D+00 -0.693721D+00
      3  -0.206629D+01 -0.471056D+00  0.595282D+00  0.167445D+01 -0.288208D+01
                71            72            73            74            75 
      1  -0.693721D+00 -0.288208D+01 -0.297546D+01 -0.357144D+01 -0.206838D+01
      2   0.134297D+01  0.163763D+01 -0.357144D+01  0.183659D+01  0.670942D+00
      3   0.163763D+01 -0.685530D+01 -0.206838D+01  0.670942D+00  0.269679D+01
                76            77            78            79            80 
      1  -0.543189D+01  0.320838D+01  0.899678D+00 -0.382334D+01  0.860615D+00
      2   0.320838D+01  0.546216D+01 -0.205192D+01  0.860615D+00 -0.225621D+01
      3   0.899678D+00 -0.205192D+01 -0.155957D+01  0.404515D+01 -0.122518D+01
                81            82            83            84            85 
      1   0.404515D+01 -0.342471D+01 -0.393357D+01 -0.265840D+01 -0.515426D+01
      2  -0.122518D+01 -0.393357D+01  0.204141D+01  0.837356D+00  0.202962D+01
      3   0.470860D+01 -0.265840D+01  0.837356D+00  0.174246D+01  0.790009D+00
                86            87            88            89            90 
      1   0.202962D+01  0.790009D+00 -0.389357D+01  0.983850D+00  0.254375D+01
      2   0.262557D+01 -0.131143D+01  0.983850D+00 -0.217587D+01 -0.289863D+01
      3  -0.131143D+01 -0.219792D+01  0.254375D+01 -0.289863D+01  0.450921D+01
                91            92            93            94            95 
      1  -0.353104D+01  0.576467D+00 -0.383490D+00  0.841095D+00 -0.471701D+01
      2   0.576467D+00 -0.200208D+01 -0.637163D+00 -0.471701D+01 -0.349878D+01
      3  -0.383490D+00 -0.637163D+00 -0.142814D+01 -0.238577D+01 -0.248870D+01
                96            97            98            99           100 
      1  -0.238577D+01  0.427607D+01 -0.183969D+01 -0.280368D+01 -0.282752D+01
      2  -0.248870D+01 -0.183969D+01 -0.105929D+01  0.262870D+01 -0.169012D+01
      3   0.170568D+01 -0.280368D+01  0.262870D+01 -0.186011D+01  0.128295D+01
               101           102           103           104           105 
      1  -0.169012D+01  0.128295D+01 -0.361585D+01  0.410774D+00  0.294448D+01
      2  -0.247241D+00  0.116620D+01  0.410774D+00  0.284550D+00  0.160762D+00
      3   0.116620D+01  0.228685D+00  0.294448D+01  0.160762D+00 -0.344389D+01
               106           107           108           109           110 
      1   0.246114D+01  0.167984D+01 -0.898871D+00  0.557042D+01  0.221976D+01
      2   0.167984D+01  0.698922D+00 -0.252851D+01  0.221976D+01  0.151022D+01
      3  -0.898871D+00 -0.252851D+01  0.196403D+01 -0.332415D+01 -0.866550D+00
               111           112           113           114           115 
      1  -0.332415D+01  0.554977D+01  0.183150D+01 -0.197661D+01 -0.790430D+01
      2  -0.866550D+00  0.183150D+01  0.420148D+01 -0.189391D+01 -0.101165D+01
      3   0.160679D+01 -0.197661D+01 -0.189391D+01  0.287396D+01  0.381764D+01
               116           117           118           119           120 
      1  -0.101165D+01  0.381764D+01 -0.681733D+00  0.912655D-01  0.206831D+01
      2  -0.295367D+01  0.228663D+01  0.912655D-01 -0.130945D+01 -0.152788D+01
      3   0.228663D+01 -0.689258D+01  0.206831D+01 -0.152788D+01 -0.148826D+01
               121           122           123           124           125 
      1  -0.269727D+01  0.456111D+00 -0.153042D+01  0.442759D+01 -0.295917D+01
      2   0.456111D+00 -0.434578D+01  0.138449D+01 -0.295917D+01  0.342049D+01
      3  -0.153042D+01  0.138449D+01  0.808059D+00 -0.154891D+01  0.707599D+00
               126           127           128           129           130 
      1  -0.154891D+01 -0.334234D+01 -0.185627D+01  0.178984D+01 -0.220072D+01
      2   0.707599D+00 -0.185627D+01 -0.180191D+01  0.136257D+01 -0.159030D+01
      3   0.292388D+01  0.178984D+01  0.136257D+01 -0.148087D+01  0.179126D+01
               131           132           133           134           135 
      1  -0.159030D+01  0.179126D+01  0.215884D+01  0.154470D+01 -0.193130D+01
      2  -0.219488D+01  0.182481D+01  0.154470D+01  0.249861D+01 -0.237344D+01
      3   0.182481D+01 -0.242570D+01 -0.193130D+01 -0.237344D+01  0.337149D+01
               136           137           138           139           140 
      1   0.193014D+01 -0.588086D+00  0.200325D+01 -0.664259D+00  0.338061D+00
      2  -0.588086D+00  0.419869D+00 -0.644093D+00  0.338061D+00 -0.113668D+01
      3   0.200325D+01 -0.644093D+00  0.230079D+01 -0.855408D+00  0.134408D+01
               141           142           143           144           145 
      1  -0.855408D+00  0.199529D+01 -0.116911D+01  0.249918D+01  0.316511D+01
      2   0.134408D+01 -0.116911D+01  0.194331D+01 -0.267875D+01  0.145951D+01
      3  -0.308346D+01  0.249918D+01 -0.267875D+01  0.649403D+01 -0.146057D+01
               146           147           148           149           150 
      1   0.145951D+01 -0.146057D+01  0.185426D+01  0.116915D+01 -0.143827D+01
      2   0.127264D+01 -0.831564D+00  0.116915D+01  0.139269D+01 -0.128456D+01
      3  -0.831564D+00  0.127131D+01 -0.143827D+01 -0.128456D+01  0.200939D+01
               151           152           153           154           155 
      1  -0.206828D+01 -0.128581D+01  0.175103D+01 -0.173778D+01  0.579966D+00
      2  -0.128581D+01 -0.195400D+01  0.181547D+01  0.579966D+00 -0.283297D+00
      3   0.175103D+01  0.181547D+01 -0.321337D+01 -0.182843D+01  0.455923D+00
               156           157           158           159           160 
      1  -0.182843D+01  0.357218D+00 -0.281448D+00  0.651463D+00 -0.229588D+01
      2   0.455923D+00 -0.281448D+00  0.833448D+00 -0.107150D+01  0.103632D+01
      3  -0.213482D+01  0.651463D+00 -0.107150D+01  0.280097D+01 -0.244292D+01
               161           162           163           164           165 
      1   0.103632D+01 -0.244292D+01 -0.314498D+01 -0.161349D+01  0.212135D+00
      2  -0.151831D+01  0.214859D+01 -0.161349D+01 -0.161554D+01 -0.238894D+00
      3   0.214859D+01 -0.641445D+01  0.212135D+00 -0.238894D+00 -0.241832D+00
               166           167           168           169           170 
      1  -0.432553D+01 -0.307718D+01 -0.444112D+00  0.365637D+01  0.299675D+00
      2  -0.307718D+01 -0.812176D+01 -0.400517D+00  0.299675D+00  0.100075D+01
      3  -0.444112D+00 -0.400517D+00 -0.775232D+00 -0.513692D+00 -0.830362D+00
               171           172           173           174           175 
      1  -0.513692D+00 -0.113645D+01  0.316901D+00 -0.123757D+01  0.227280D+01
      2  -0.830362D+00  0.316901D+00 -0.480890D+00 -0.191691D+00 -0.714083D+00
      3  -0.253220D+00 -0.123757D+01 -0.191691D+00 -0.119869D+01  0.255748D+00
               176           177           178           179           180 
      1  -0.714083D+00  0.255748D+00 -0.301067D+01 -0.176784D+00 -0.203911D+01
      2  -0.313877D+00 -0.721847D+00 -0.176784D+00 -0.100964D+01 -0.707767D+00
      3  -0.721847D+00  0.743739D+00 -0.203911D+01 -0.707767D+00 -0.677123D+01
               181           182           183           184           185 
      1   0.100697D+01 -0.986486D+00  0.107170D+01 -0.191232D+01  0.362086D+00
      2  -0.986486D+00  0.415064D+00  0.662187D-01  0.362086D+00  0.194623D-01
      3   0.107170D+01  0.662187D-01  0.755158D+00 -0.825312D-01  0.921520D+00
               186           187           188           189           190 
      1  -0.825312D-01  0.192652D+01  0.195573D-01  0.313410D+00 -0.878086D+00
      2   0.921520D+00  0.195573D-01  0.126581D+01 -0.785625D+00 -0.124959D+01
      3  -0.845494D+00  0.313410D+00 -0.785625D+00  0.700903D+01  0.474905D+00
               191           192           193           194           195 
      1  -0.124959D+01  0.474905D+00 -0.334558D+01 -0.328852D+01  0.343037D+00
      2  -0.131131D+01  0.156944D+00 -0.328852D+01 -0.787618D+01  0.108930D+01
      3   0.156944D+00 -0.445211D+00  0.343037D+00  0.108930D+01 -0.114270D+01
               196           197           198           199           200 
      1   0.116248D+01  0.462728D+00 -0.101842D+01 -0.157659D+01  0.339399D+00
      2   0.462728D+00  0.145958D+01 -0.960639D+00  0.339399D+00 -0.390004D+00
      3  -0.101842D+01 -0.960639D+00  0.274431D+00 -0.129737D+01 -0.197749D-01
               201           202           203           204           205 
      1  -0.129737D+01  0.110836D+01 -0.852746D+00  0.243195D+00 -0.387516D+01
      2  -0.197749D-01 -0.852746D+00 -0.211188D+00 -0.625613D+00 -0.241963D+00
      3  -0.146553D+01  0.243195D+00 -0.625613D+00  0.728350D+00 -0.324770D+01
               206           207           208           209           210 
      1  -0.241963D+00 -0.324770D+01 -0.702443D+01  0.203500D+01  0.236052D+01
      2  -0.114318D+01  0.167612D+00  0.203500D+01 -0.145808D+01 -0.737667D+00
      3   0.167612D+00 -0.645807D+01  0.236052D+01 -0.737667D+00 -0.174273D+01
               211           212           213           214           215 
      1   0.496134D+01 -0.221521D+01 -0.122965D+01  0.481925D+01 -0.979185D+00
      2  -0.221521D+01  0.140775D+01  0.111488D+01 -0.979185D+00  0.143664D+01
      3  -0.122965D+01  0.111488D+01  0.132382D+01 -0.267926D+01  0.969112D+00
               216           217           218           219           220 
      1  -0.267926D+01 -0.415619D+01  0.313127D+01  0.170632D+01  0.262525D+01
      2   0.969112D+00  0.313127D+01 -0.326782D+01 -0.111611D+01 -0.288507D+01
      3   0.172494D+01  0.170632D+01 -0.111611D+01 -0.144447D+01 -0.112299D+01
               221           222           223           224           225 
      1  -0.288507D+01 -0.112299D+01  0.282189D+01 -0.179320D+01 -0.184580D+01
      2   0.388694D+01  0.167632D+01 -0.179320D+01  0.283677D+01  0.194067D+01
      3   0.167632D+01  0.139384D+01 -0.184580D+01  0.194067D+01  0.167322D+01
               226           227           228           229           230 
      1  -0.505459D+00  0.863477D+00 -0.782266D+00  0.697662D+00 -0.572019D+00
      2   0.863477D+00 -0.757729D+00  0.253191D+00 -0.572019D+00  0.105477D+01
      3  -0.782266D+00  0.253191D+00 -0.103898D+01  0.200474D+00 -0.103576D+01
               231           232           233           234           235 
      1   0.200474D+00 -0.175990D+01  0.665902D+00 -0.142336D+01  0.805961D+01
      2  -0.103576D+01  0.665902D+00 -0.243684D+01  0.224949D+01  0.114883D+01
      3   0.116217D+01 -0.142336D+01  0.224949D+01 -0.600654D+01  0.109459D+01
               236           237           238           239           240 
      1   0.114883D+01  0.109459D+01  0.957246D+00  0.144911D+01  0.194932D+00
      2   0.245001D+01  0.292064D+00  0.144911D+01  0.125788D+01  0.431023D+00
      3   0.292064D+00  0.745935D+00  0.194932D+00  0.431023D+00  0.637896D+00
               241           242           243           244           245 
      1   0.107836D+01  0.301219D+00  0.400920D+00 -0.243263D+00 -0.110523D+01
      2   0.301219D+00  0.774613D+00  0.810231D+00 -0.110523D+01  0.564238D+00
      3   0.400920D+00  0.810231D+00  0.147500D+00  0.120590D+01 -0.220792D+00
               246           247           248           249           250 
      1   0.120590D+01 -0.193010D+01  0.940664D+00 -0.422217D+00  0.210788D+01
      2  -0.220792D+00  0.940664D+00 -0.145555D+01  0.145849D+01 -0.235248D+00
      3   0.107686D+01 -0.422217D+00  0.145849D+01 -0.189798D+01  0.190642D+01
               251           252           253           254           255 
      1  -0.235248D+00  0.190642D+01 -0.729046D+01 -0.358350D+01 -0.382056D+01
      2   0.182444D+01 -0.148971D+01 -0.358350D+01  0.922369D+00  0.356109D+00
      3  -0.148971D+01  0.507394D+01 -0.382056D+01  0.356109D+00  0.166899D+01
               256           257           258           259           260 
      1   0.136110D+01  0.344424D+01  0.115905D+01 -0.348213D+01  0.536547D+00
      2   0.344424D+01  0.370124D+01  0.218146D+01  0.536547D+00  0.139191D+01
      3   0.115905D+01  0.218146D+01 -0.184847D+01  0.187956D+01 -0.295740D+01
               261           262           263           264           265 
      1   0.187956D+01  0.374380D+01 -0.262029D+01 -0.176714D+01 -0.166116D+01
      2  -0.295740D+01 -0.262029D+01  0.238555D+01  0.121162D+01  0.183489D+01
      3   0.970250D-01 -0.176714D+01  0.121162D+01  0.159730D+01  0.933379D+00
               266           267           268           269           270 
      1   0.183489D+01  0.933379D+00 -0.355189D+01  0.273277D+01  0.276948D+01
      2  -0.287019D+01 -0.108738D+01  0.273277D+01 -0.314280D+01 -0.236239D+01
      3  -0.108738D+01 -0.120673D+01  0.276948D+01 -0.236239D+01 -0.296385D+01
               271           272           273           274           275 
      1  -0.150468D+01  0.111201D+01  0.161634D+01  0.569086D+00 -0.857338D+00
      2   0.111201D+01 -0.207683D+01 -0.138008D+01 -0.857338D+00  0.172721D+01
      3   0.161634D+01 -0.138008D+01 -0.220570D+01 -0.528986D+00  0.126640D+01
               276           277           278           279           280 
      1  -0.528986D+00  0.201411D+01 -0.448455D+00 -0.109073D+01  0.305576D+00
      2   0.126640D+01 -0.448455D+00  0.228015D+01  0.251644D+01  0.686563D+00
      3   0.153634D+01 -0.109073D+01  0.251644D+01  0.412656D+01 -0.318882D+00
               281           282           283           284           285 
      1   0.686563D+00 -0.318882D+00  0.841318D+00 -0.355448D-01 -0.932584D-01
      2  -0.694335D+00  0.676140D-01 -0.355448D-01  0.296824D+01 -0.159339D+01
      3   0.676140D-01 -0.450518D+00 -0.932584D-01 -0.159339D+01  0.166683D+01
               286           287           288           289           290 
      1  -0.154127D+01 -0.516589D+00 -0.382437D+00  0.115335D+02  0.401284D+01
      2  -0.516589D+00 -0.334329D+01  0.158636D+01  0.401284D+01  0.286430D+01
      3  -0.382437D+00  0.158636D+01 -0.283792D+01  0.313491D+01  0.124945D+01
               291           292           293           294           295 
      1   0.313491D+01  0.188947D+01  0.167149D+01  0.517051D+00  0.275162D+01
      2   0.124945D+01  0.167149D+01  0.108473D+01  0.443510D+00  0.100426D+01
      3   0.177672D+01  0.517051D+00  0.443510D+00  0.476893D+00  0.179004D+01
               296           297 
      1   0.100426D+01  0.179004D+01
      2   0.754441D+00  0.112225D+01
      3   0.112225D+01  0.134679D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.234885D+01 -0.189112D+00 -0.190880D+01 -0.692433D+01 -0.130219D+01
      2   0.196066D+01 -0.202782D+01  0.229085D+01 -0.580812D+01  0.144003D+01
      3  -0.716005D+01 -0.329070D+01 -0.435579D-01  0.100849D+02 -0.109520D+01
                 6             7             8             9            10 
      1  -0.354391D+01 -0.440966D+01  0.221892D+01 -0.770072D+00 -0.114840D+01
      2  -0.154426D+01 -0.490715D+01 -0.148674D+01  0.716339D-01  0.378112D+01
      3   0.356953D+01 -0.362449D+01 -0.160934D+01  0.355618D+01  0.132615D+02
                11            12            13            14            15 
      1  -0.170718D+01  0.146838D+01 -0.502992D+01  0.437663D+01 -0.695678D+01
      2   0.119453D+01 -0.318866D+01  0.752425D+01  0.310197D+01 -0.267153D+01
      3   0.158167D+01  0.729315D+00  0.140273D+02  0.129685D+01  0.448905D+00
                16            17            18            19            20 
      1   0.700216D+01  0.104960D+01 -0.505395D+01 -0.193160D+01  0.983372D+00
      2  -0.211568D+02 -0.204980D+01  0.109361D+01  0.182626D+01 -0.228692D+01
      3  -0.438710D+01  0.111231D+01 -0.124945D+01  0.251375D+01 -0.957574D+00
                21            22            23            24            25 
      1  -0.145664D+01  0.413135D+01  0.126161D+01  0.300939D+00  0.308904D+01
      2   0.838540D+01  0.187720D+01 -0.307019D+01  0.382175D+01 -0.833759D+01
      3   0.329149D+01  0.133614D+02  0.342425D+01  0.409896D+00  0.237760D+01
                26            27            28            29            30 
      1   0.280729D+01  0.368165D+01  0.117103D+01 -0.201108D+01  0.454635D+01
      2  -0.519087D-01 -0.440957D+00 -0.404836D+01  0.668666D+00 -0.325725D+01
      3   0.216182D+00 -0.233152D+01 -0.121425D+02 -0.155542D+01 -0.243261D+01
                31            32            33            34            35 
      1  -0.158005D+01  0.502481D+01 -0.582103D+01  0.870414D+01  0.281558D+01
      2   0.746127D+01  0.278487D+01 -0.418708D+01 -0.200214D+02 -0.623621D+01
      3   0.127507D+02  0.849328D+00 -0.145630D+01 -0.997245D+01 -0.757480D+00
                36            37            38            39            40 
      1  -0.384466D+01  0.726361D+00 -0.862248D+00  0.412651D+00 -0.513743D+01
      2  -0.324551D+01  0.675907D+01 -0.101982D+01  0.299957D+01 -0.719598D+01
      3  -0.152193D+01  0.237056D+01 -0.169324D+01  0.259899D+01  0.883864D+01
                41            42            43            44            45 
      1  -0.259484D+01 -0.346325D+01 -0.424402D+01  0.107837D+01 -0.265460D+01
      2   0.138390D+01 -0.235400D+01 -0.166160D+00 -0.189680D+00  0.355226D+00
      3  -0.700097D+00  0.266141D+01  0.887766D+01  0.724509D+00  0.486774D+01
                46            47            48            49            50 
      1  -0.458392D+00  0.236409D+01 -0.160927D+01  0.608187D+01  0.802840D+00
      2  -0.275238D+01 -0.366209D+01  0.833573D+01 -0.536876D+01 -0.372850D+01
      3  -0.113651D+02 -0.338319D+01  0.235542D+01  0.673468D+01  0.174468D+01
                51            52            53            54            55 
      1  -0.174327D+01  0.258963D+01  0.226894D+01  0.601190D+00 -0.163353D+01
      2   0.524609D+01 -0.479594D+01  0.551874D+00 -0.122306D+01  0.517547D+01
      3  -0.732482D+00  0.896598D+01  0.122050D+01 -0.189255D+01 -0.155517D+02
                56            57            58            59            60 
      1   0.545075D+00 -0.837248D-01 -0.115259D-01 -0.597694D+01 -0.264452D+01
      2  -0.148440D+01  0.899452D+00 -0.366996D+01  0.578467D+01  0.322459D+01
      3   0.516621D+01  0.166481D+01  0.272265D+02  0.124354D+02 -0.149338D+01
                61            62            63            64            65 
      1   0.972316D+00  0.203915D+01  0.609473D+01  0.199382D+01 -0.534485D+00
      2  -0.190287D+02  0.276491D+01 -0.200697D+02 -0.100674D+02  0.199539D+01
      3   0.915636D+01 -0.569675D+01 -0.472950D+01  0.242749D+02 -0.121220D+02
                66            67            68            69            70 
      1   0.676153D+00  0.110257D+01 -0.810580D+00 -0.249132D+01 -0.128605D+01
      2   0.107130D+02  0.408316D+01 -0.446436D+01 -0.608680D+01  0.980961D+01
      3  -0.202490D+01 -0.116224D+02 -0.165531D+02  0.264324D+01 -0.845852D+01
                71            72            73            74            75 
      1   0.398985D+01  0.139506D+01 -0.937292D+00 -0.226234D+00  0.110131D+01
      2  -0.828056D+01  0.319527D+02  0.132847D+02 -0.367822D+01 -0.136531D+02
      3   0.534186D+01  0.827446D+01 -0.181888D+02  0.107444D+02  0.492812D+01
                76            77            78            79            80 
      1  -0.985263D+00 -0.164349D+01 -0.194976D+01  0.206528D+01  0.136767D+01
      2  -0.508230D+01  0.127626D+02  0.790098D+01 -0.276046D+02  0.655074D+01
      3   0.260081D+02  0.309086D+02 -0.121480D+02  0.641803D+01 -0.130302D+02
                81            82            83            84            85 
      1   0.195241D+01  0.477953D+01 -0.163347D+01 -0.386976D+01 -0.195290D+01
      2  -0.270082D+02  0.993046D+01 -0.406546D+01 -0.506524D+01 -0.438117D+01
      3  -0.942664D+01 -0.259759D+02 -0.370977D+01 -0.155567D+01  0.100667D+01
                86            87            88            89            90 
      1   0.496479D+01  0.312738D+01 -0.585306D+01  0.893075D+01 -0.876507D+01
      2   0.508559D+01  0.851051D+01 -0.123947D+02  0.110809D+02 -0.176675D+02
      3   0.132454D+02 -0.338581D+01 -0.139954D+01 -0.609358D+01 -0.793887D+01
                91            92            93            94            95 
      1  -0.136188D+01 -0.187255D+01  0.742462D+00 -0.410406D+01 -0.180029D+01
      2   0.773871D+01 -0.154638D+01  0.716222D+00 -0.875622D+01 -0.431133D+01
      3  -0.572132D+01  0.118607D+01  0.166910D+01  0.226876D+02  0.100574D+02
                96            97            98            99           100 
      1  -0.653386D+01  0.338205D+01  0.178708D+01  0.378339D+01  0.194275D+01
      2   0.832402D+01 -0.224194D+02  0.936348D+01 -0.459593D+01 -0.149576D+02
      3   0.797358D+01  0.862866D+01  0.475230D+01 -0.967712D+01  0.149614D+02
               101           102           103           104           105 
      1   0.670984D+01 -0.890619D+00  0.307422D+01  0.544752D+01  0.157363D+01
      2   0.586967D+01  0.389742D+01  0.982796D+01  0.109149D+01 -0.956712D+01
      3  -0.413745D+01 -0.441214D+01 -0.317383D+00 -0.346849D+01 -0.398488D+01
               106           107           108           109           110 
      1  -0.290189D+01  0.714058D+00 -0.291973D+01 -0.168946D+01 -0.435448D+01
      2  -0.703704D+01 -0.854186D+01  0.187620D+02 -0.522837D+01 -0.312182D+01
      3  -0.138998D+01 -0.127411D+02  0.778812D+01 -0.954422D+01 -0.867350D+01
               111           112           113           114           115 
      1  -0.951005D+00 -0.990647D+00 -0.566102D+01 -0.268874D+01 -0.149413D+00
      2   0.844813D+01 -0.676577D+01 -0.856544D+01  0.109329D+02  0.103119D+02
      3   0.341360D+01 -0.167403D+01 -0.166735D+02  0.759480D+01 -0.337442D+01
               116           117           118           119           120 
      1   0.797383D+01  0.554573D+00  0.302479D+01 -0.154101D+01 -0.674248D+00
      2   0.977078D+01 -0.309102D+02  0.980655D+01 -0.675917D+01 -0.303101D+01
      3   0.155691D+02 -0.848346D+01 -0.590543D+00  0.250793D+01  0.353621D+01
               121           122           123           124           125 
      1   0.111950D+01  0.149351D+01 -0.603962D+01 -0.324446D+01  0.287335D+01
      2  -0.223699D+01  0.523619D+01  0.520481D+00 -0.698310D+01  0.245686D+01
      3   0.302002D+01  0.183618D+02 -0.471833D+01  0.722267D+01 -0.928435D+01
               126           127           128           129           130 
      1   0.583321D+01  0.211431D+00 -0.186327D+01 -0.918127D+00  0.924117D+00
      2   0.113111D+02  0.503399D+01  0.118888D+01 -0.129923D-01  0.180073D+01
      3   0.168484D+00  0.426299D+01 -0.446002D+00 -0.923141D+00  0.389375D+01
               131           132           133           134           135 
      1  -0.276020D+00 -0.319024D+01 -0.545834D+00  0.190472D+01  0.173759D+01
      2   0.417758D+00  0.493935D+00 -0.268374D+01  0.931929D-02 -0.158236D+01
      3  -0.102176D+01 -0.625171D+00 -0.162695D+01  0.163426D+01 -0.607986D-02
               136           137           138           139           140 
      1   0.138414D+01  0.104259D+01  0.218811D+01 -0.478191D+00 -0.757200D+00
      2  -0.338691D+01  0.298584D+00 -0.817821D+00  0.592650D+00  0.137399D+00
      3  -0.292648D+01 -0.319367D+00 -0.171432D+01  0.141687D+01  0.600715D+00
               141           142           143           144           145 
      1  -0.280564D+01  0.469267D+00  0.311764D+01  0.227509D+01 -0.124546D+01
      2  -0.116402D+01 -0.439668D+01  0.199361D+00  0.907207D+00  0.548812D+01
      3   0.511943D+00 -0.244390D+01 -0.761884D+00 -0.147648D+01  0.287184D+01
               146           147           148           149           150 
      1  -0.261841D+01 -0.298630D+00 -0.676345D+00 -0.118429D+01 -0.183782D+01
      2   0.147010D+01 -0.378345D+00  0.308043D+01  0.530322D+00  0.436377D+00
      3  -0.815158D+00 -0.495738D+00  0.265427D+01 -0.900987D+00 -0.202274D-01
               151           152           153           154           155 
      1   0.414075D+00  0.269867D+01  0.321050D+00 -0.343883D+00  0.136004D+01
      2  -0.258658D+01 -0.377559D+00 -0.117416D+01 -0.368840D+01  0.589281D+00
      3  -0.811796D+00  0.208160D+01 -0.282176D+00 -0.118166D+01 -0.401416D+00
               156           157           158           159           160 
      1   0.641777D+00  0.818395D-01 -0.129770D+01 -0.964315D+00 -0.137515D+01
      2  -0.533928D+00  0.472205D+00  0.294462D+00 -0.148929D+01 -0.478670D+01
      3  -0.346975D+00  0.892408D+00  0.556800D+00 -0.194283D+00 -0.724614D+00
               161           162           163           164           165 
      1   0.437996D+01 -0.121142D+01  0.109430D+01  0.928452D+00 -0.883284D+00
      2   0.185895D+00  0.171122D+01 -0.350248D+01 -0.523320D+00  0.197970D+01
      3  -0.142147D+01  0.136488D+00 -0.159421D+01 -0.461749D+01 -0.798224D+00
               166           167           168           169           170 
      1   0.143970D+01  0.532161D+01 -0.298325D+01 -0.878701D+00 -0.900785D+00
      2  -0.142511D+01 -0.211133D+01  0.272476D+01  0.155804D+01  0.250513D+01
      3  -0.220979D+01 -0.222584D+02 -0.120508D+01 -0.251090D+01  0.307224D+01
               171           172           173           174           175 
      1   0.196519D+00 -0.157301D+01  0.547682D+00 -0.949451D+00  0.194158D-01
      2   0.102596D+01  0.377273D+01  0.735524D+00  0.442913D+01  0.111531D+01
      3  -0.155320D+01  0.277863D+01 -0.264177D+01  0.689116D+00 -0.214372D+01
               176           177           178           179           180 
      1  -0.676354D+00  0.179072D+00 -0.176073D+01  0.294516D+01 -0.702453D+01
      2   0.145309D+01 -0.272421D+01  0.568349D+00  0.190795D+01  0.205061D+02
      3  -0.345735D+00 -0.219762D+01  0.207899D+01 -0.350260D+01  0.793564D+00
               181           182           183           184           185 
      1  -0.150308D+01  0.824102D+00 -0.123560D+00  0.367424D+00 -0.229022D+00
      2  -0.724570D+01  0.529543D+00 -0.357881D+01  0.204183D+01 -0.426799D+01
      3  -0.463897D+01  0.136642D+01 -0.145515D+00  0.394677D+01  0.217214D-02
               186           187           188           189           190 
      1  -0.479617D+00 -0.700915D+00  0.328353D+01 -0.103270D+01  0.123595D+00
      2   0.399230D+01 -0.688641D+01  0.378502D+01 -0.297168D+02 -0.273637D+01
      3   0.386049D+01 -0.539821D+00  0.492615D+01 -0.348331D+01 -0.661031D+01
               191           192           193           194           195 
      1   0.691570D-01 -0.579385D+00  0.254543D+00  0.309275D+00 -0.325000D+01
      2  -0.799978D+00  0.299240D+01 -0.161816D+01 -0.664148D+01  0.725411D+01
      3  -0.765525D+01  0.558550D+00 -0.124873D+02 -0.426499D+02  0.603248D+01
               196           197           198           199           200 
      1  -0.520650D+00  0.377130D+00  0.435834D+00 -0.658322D+00  0.423534D+00
      2   0.416255D+01  0.518824D+01 -0.143308D+01  0.734992D+01  0.187932D+00
      3   0.149404D+01  0.814660D+01 -0.438176D+01  0.261054D+01 -0.320300D+01
               201           202           203           204           205 
      1  -0.813144D+00  0.144496D+00 -0.478211D+00 -0.438634D+00 -0.110020D+01
      2   0.928212D+01 -0.818034D+00  0.319772D+01 -0.419434D+01  0.141595D+02
      3   0.529822D+00 -0.369652D+01 -0.619007D+00 -0.323500D+01  0.442440D+00
               206           207           208           209           210 
      1   0.295482D+01 -0.266496D+01  0.855950D+00 -0.939300D+00 -0.137220D-01
      2  -0.128780D+01  0.368382D+02 -0.126808D+02  0.413686D+01  0.121792D+02
      3  -0.710021D+01  0.309359D+01  0.137374D+02 -0.115495D+02 -0.531493D+01
               211           212           213           214           215 
      1  -0.377790D+00  0.986080D+00 -0.596958D+00 -0.537559D+00  0.181663D+01
      2   0.625236D+01 -0.634062D+01 -0.856069D+01  0.133048D+02 -0.559913D+01
      3  -0.125624D+02  0.973887D+01  0.688103D+01 -0.685838D+01  0.966464D+01
               216           217           218           219           220 
      1   0.162494D+00 -0.353488D+01  0.161836D+01  0.437611D+01  0.267882D+01
      2  -0.101597D+02 -0.624297D+01  0.443697D+01  0.720241D+01  0.388404D+01
      3   0.663655D+01  0.461102D+01 -0.970468D+01 -0.136729D+01 -0.358158D+01
               221           222           223           224           225 
      1  -0.292789D+01 -0.439052D+01  0.388695D+01 -0.215265D+01 -0.373395D+01
      2  -0.648730D+01 -0.640893D+01  0.574913D+01 -0.756637D+01 -0.686052D+01
      3   0.111323D+02  0.435419D+01 -0.106568D+01  0.902483D+01  0.472959D+01
               226           227           228           229           230 
      1   0.151312D+01 -0.535333D-01  0.210852D+01 -0.466764D+00  0.161762D+01
      2   0.290364D+01 -0.938996D+00  0.431621D+01 -0.422596D+00  0.358778D+01
      3   0.332759D+01 -0.252419D+01 -0.295070D-01  0.233322D+00  0.301224D+01
               231           232           233           234           235 
      1  -0.360941D+01  0.249467D+01 -0.105830D+01  0.127018D+02 -0.109417D+01
      2  -0.411122D+01  0.163026D+01 -0.820424D+01  0.227864D+02 -0.395258D+01
      3  -0.347374D+01 -0.126374D+01 -0.940335D+01  0.726207D+01  0.252817D+02
               236           237           238           239           240 
      1  -0.321737D+00 -0.243703D+01 -0.121290D+00 -0.812393D+00 -0.185030D+01
      2  -0.899988D+00 -0.136036D+01 -0.559737D+00 -0.163181D+01 -0.122679D+01
      3   0.978188D+01  0.340616D+01  0.101392D+02  0.635762D+01  0.224709D+01
               241           242           243           244           245 
      1  -0.197742D+01 -0.461923D-01 -0.982699D-01 -0.183761D+01  0.853591D+00
      2  -0.408177D+01 -0.241686D+01 -0.327123D+00  0.439524D+01  0.467258D+00
      3   0.306967D+01  0.331340D+01  0.395003D+01  0.388395D+01 -0.232961D+01
               246           247           248           249           250 
      1  -0.638328D+00  0.664349D+00 -0.283028D+01  0.638815D+00 -0.996608D+00
      2   0.320432D+01  0.149320D+01  0.399540D+01 -0.562208D+01  0.151856D+01
      3   0.110385D+01 -0.506269D+00  0.457894D+01 -0.467610D+01  0.149303D+00
               251           252           253           254           255 
      1   0.429394D+01 -0.242155D+01  0.343710D+01  0.122133D+01 -0.462947D+01
      2  -0.489427D+01  0.137841D+02 -0.531999D+01  0.421072D+01  0.119490D+02
      3  -0.607779D+01  0.547013D+01 -0.334415D+01 -0.133772D+02 -0.895344D+01
               256           257           258           259           260 
      1   0.283069D+01 -0.295710D+00  0.686214D+01 -0.255057D+01  0.121242D+02
      2   0.275398D+01  0.433943D+01 -0.874620D+01  0.852522D+01 -0.108984D+02
      3  -0.136316D+02 -0.858633D+01 -0.683258D+01 -0.785222D+01 -0.447420D+01
               261           262           263           264           265 
      1  -0.375444D+01 -0.244647D+01  0.101435D+01  0.278961D+01  0.196834D+01
      2  -0.887865D+00 -0.591216D+01  0.501507D+01  0.638665D+01  0.333414D+01
      3   0.136478D+02  0.501503D+01 -0.728006D+01 -0.228363D+01 -0.370683D+01
               266           267           268           269           270 
      1  -0.177335D+01 -0.235846D+01  0.334919D+01 -0.159495D+01 -0.451460D+01
      2  -0.453760D+01 -0.515371D+01  0.911746D+01 -0.911784D+01 -0.125054D+02
      3   0.877801D+01  0.294404D+01 -0.590708D+01  0.102558D+02  0.639967D+01
               271           272           273           274           275 
      1  -0.234778D+01 -0.105126D+01  0.387669D+01 -0.473608D+00 -0.486270D+00
      2   0.829851D+01 -0.495673D+01 -0.781712D+01 -0.235642D+01  0.505922D+01
      3  -0.832653D+01  0.720911D+01  0.736288D+01  0.546285D+01 -0.657303D+01
               276           277           278           279           280 
      1  -0.293903D+01  0.255691D+01 -0.483861D+00 -0.573813D+01  0.241735D+01
      2   0.511896D+01 -0.785327D+01  0.794213D+01  0.131437D+02 -0.199866D+01
      3  -0.521618D+01  0.628600D+01 -0.758573D+01 -0.107716D+02 -0.319135D+01
               281           282           283           284           285 
      1  -0.618566D+00  0.190545D+01 -0.140646D-01  0.650122D+01 -0.691407D+01
      2  -0.284675D+00 -0.132238D+01 -0.900832D+00 -0.506786D+01  0.520765D+01
      3   0.265999D+01 -0.137780D+01  0.285381D+01 -0.934305D+01  0.524243D+01
               286           287           288           289           290 
      1   0.142934D+01 -0.506515D+01  0.108131D+02 -0.127884D+01  0.189235D+01
      2  -0.276419D+01  0.541045D+01 -0.911997D+01 -0.208021D+01  0.223760D+00
      3  -0.301622D+01  0.991364D+01 -0.669765D+01  0.730973D+01 -0.581213D+01
               291           292           293           294           295 
      1  -0.310537D+01  0.737047D+00  0.543556D+00 -0.191069D+01 -0.239092D+01
      2   0.512325D+01 -0.228549D+00 -0.458045D+00  0.210288D+01  0.198529D+01
      3   0.121744D+01 -0.608667D+00 -0.131157D+01 -0.736146D-01  0.206037D+01
               296           297 
      1  -0.512979D+00 -0.117251D+01
      2   0.254484D+01  0.297266D+01
      3  -0.142980D+01 -0.871205D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.860449D+01 -0.110975D+02  0.201434D+02  0.130482D+02 -0.137216D+02
      2  -0.313194D+01  0.227873D+01 -0.283230D+01  0.215762D+00  0.214266D+02
      3   0.117364D+02  0.881878D+01 -0.173111D+02 -0.132640D+02 -0.770501D+01
      4  -0.981786D+01 -0.602793D+01  0.819116D+01  0.180691D+01  0.134059D+01
      5   0.906948D+01  0.594076D+01  0.364084D+01  0.836434D+01  0.230869D+01
      6   0.510329D+01 -0.256483D+01  0.405524D+01  0.595404D+01 -0.453042D-01
                 6             7             8             9            10 
      1   0.284438D+01 -0.346060D+02 -0.147674D+02  0.795005D+01  0.548202D+02
      2  -0.522297D+01  0.113259D+02  0.833571D+01 -0.916674D+01 -0.211587D+02
      3   0.237859D+01  0.232801D+02  0.643172D+01  0.121669D+01 -0.336614D+02
      4   0.297594D+01 -0.442271D+01  0.844156D+00 -0.492980D+01  0.498023D+00
      5  -0.756814D+01  0.754321D+01 -0.638830D+01  0.295002D+01  0.330216D+01
      6   0.650965D+00 -0.105103D+02 -0.708035D+01  0.743246D+01  0.252645D+01
                11            12            13            14            15 
      1   0.606918D+00  0.511645D+01 -0.655657D+01 -0.567387D+01  0.932080D+01
      2   0.136330D+01 -0.510858D+01  0.387934D+01  0.646600D+01 -0.354395D+01
      3  -0.197022D+01 -0.786875D-02  0.267723D+01 -0.792131D+00 -0.577685D+01
      4   0.269330D+01 -0.420668D+01  0.814466D+01  0.247575D+01  0.139717D+01
      5  -0.416348D+01  0.436102D+01  0.134427D+02  0.426339D+00  0.231913D+01
      6  -0.173420D+01  0.272515D+01  0.482951D+01  0.368710D+01  0.109404D+02
                16            17            18            19            20 
      1   0.821306D+01  0.119579D+02 -0.157042D+02  0.123475D+02  0.182048D+02
      2   0.374136D+01  0.329826D+01  0.402578D+01  0.282123D+01 -0.121862D+02
      3  -0.119544D+02 -0.152561D+02  0.116784D+02 -0.151687D+02 -0.601864D+01
      4   0.197012D+02  0.203918D+01 -0.103377D+01  0.402147D+01  0.348780D+01
      5  -0.929587D+01 -0.890841D-01  0.224112D+01 -0.140734D+02  0.216359D+01
      6   0.428135D+01  0.669663D+01 -0.440788D+01 -0.240614D+01  0.471871D+01
                21            22            23            24            25 
      1  -0.178201D+02 -0.977852D+01 -0.269616D+01 -0.164030D+02  0.146965D+02
      2   0.122762D+02  0.211794D+01  0.100120D+02 -0.576604D+01 -0.484388D+01
      3   0.554392D+01  0.766059D+01 -0.731583D+01  0.221691D+02 -0.985258D+01
      4   0.313557D+00  0.118420D+02 -0.655267D+01 -0.514324D+00  0.205292D+01
      5  -0.107259D+02 -0.305358D+01 -0.575082D+00 -0.495522D+00  0.772240D+01
      6  -0.706779D+01 -0.359360D+01 -0.245514D+01  0.746807D+00  0.121223D+02
                26            27            28            29            30 
      1  -0.698519D+01  0.190779D+01  0.107197D+02  0.316434D+01  0.650521D+00
      2  -0.727679D+00 -0.286208D+01 -0.217980D+01 -0.210430D+01 -0.295352D+01
      3   0.771287D+01  0.954287D+00 -0.853989D+01 -0.106004D+01  0.230300D+01
      4  -0.299674D+01  0.795601D+01  0.262605D+01  0.466802D+01 -0.206526D+01
      5   0.766803D+01 -0.559525D+01  0.679545D+01 -0.155242D+01  0.599173D+01
      6   0.102189D+01  0.117168D+02  0.719842D+01  0.281849D+01 -0.903887D+00
                31            32            33            34            35 
      1  -0.113992D+02 -0.804483D+01  0.107296D+02  0.224948D+00  0.134627D+02
      2  -0.927901D+00  0.356405D+01 -0.425862D+01  0.581793D+01  0.178081D+01
      3   0.123271D+02  0.448078D+01 -0.647097D+01 -0.604288D+01 -0.152435D+02
      4   0.860426D+01  0.285697D+01  0.290353D+01  0.214508D+02  0.349739D+01
      5   0.180895D+02  0.400823D+01  0.195423D+01 -0.633194D+01 -0.303723D+01
      6   0.375059D+01  0.457567D+01  0.990978D+01  0.245357D+01  0.660424D+01
                36            37            38            39            40 
      1  -0.173496D+02  0.249218D+01 -0.916688D+01  0.220895D+02  0.106936D+02
      2   0.446529D+01 -0.834219D+01  0.185806D+01 -0.488735D+01  0.142903D+01
      3   0.128843D+02  0.585002D+01  0.730882D+01 -0.172022D+02 -0.121227D+02
      4  -0.307098D+01 -0.126283D+02 -0.552422D+01  0.573320D+01  0.499585D+01
      5  -0.206913D+01  0.101609D+02  0.354196D+01  0.418952D+01  0.456212D+01
      6  -0.583163D+01  0.371670D+01 -0.315464D+01 -0.639818D+00  0.304170D+01
                41            42            43            44            45 
      1  -0.581603D+01 -0.244180D+00 -0.202783D+02 -0.123502D+02  0.108064D+02
      2   0.120837D+02 -0.194780D+01  0.334306D+01  0.414855D+01 -0.830364D+01
      3  -0.626764D+01  0.219198D+01  0.169353D+02  0.820162D+01 -0.250278D+01
      4   0.874365D+00  0.629876D+00 -0.756621D+01 -0.353917D+01 -0.570471D+01
      5   0.187729D+01 -0.851598D+01  0.943943D+01 -0.516429D+01  0.184990D+01
      6   0.224668D+01  0.189471D+01 -0.125675D+02 -0.492377D+01  0.751597D+01
                46            47            48            49            50 
      1  -0.456307D+01  0.119524D+02 -0.156386D+02 -0.204588D+02  0.205759D+01
      2   0.101521D+02 -0.604914D+01  0.956512D+01  0.738116D+01  0.395777D+01
      3  -0.558903D+01 -0.590328D+01  0.607350D+01  0.130777D+02 -0.601536D+01
      4   0.841914D+01  0.716669D+01 -0.124180D+01  0.129712D+02 -0.451158D+01
      5  -0.141085D+02  0.105097D+01 -0.899466D+01 -0.804113D+01 -0.329264D+00
      6   0.367478D+00  0.296972D+01 -0.601279D+01 -0.278286D+01  0.224027D+01
                51            52            53            54            55 
      1  -0.222212D+02  0.220866D+02 -0.607826D+01  0.922385D+00 -0.544853D+02
      2   0.107344D+00 -0.639786D+01 -0.643496D+00  0.238084D+00  0.204320D+02
      3   0.221139D+02 -0.156887D+02  0.672176D+01 -0.116047D+01  0.340533D+02
      4   0.492448D-01  0.212655D+01 -0.181298D+01  0.532151D+01  0.936285D+01
      5   0.534020D+00  0.559592D+01  0.510583D+01 -0.524913D+01  0.653984D+01
      6   0.408062D+01  0.879110D+01  0.238881D+01  0.148907D+02  0.952963D+00
                56            57            58            59            60 
      1   0.122584D+02  0.552901D+01  0.400447D+02 -0.106934D+02 -0.583285D+01
      2  -0.847179D+01 -0.796330D+00 -0.294744D+02 -0.112675D+02  0.127014D+01
      3  -0.378665D+01 -0.473268D+01 -0.105703D+02  0.219608D+02  0.456271D+01
      4  -0.150291D+02 -0.222927D+01 -0.331737D+02 -0.391766D+02  0.210234D+01
      5  -0.228322D+01 -0.674987D+01 -0.592931D+01  0.340325D+01  0.537250D+01
      6  -0.170648D+01 -0.100585D+01 -0.378998D+01 -0.167784D+01  0.138831D+01
                61            62            63            64            65 
      1   0.375045D+02 -0.796789D+01 -0.138469D+01 -0.187654D+02 -0.338636D+02
      2  -0.110607D+02  0.556914D+01  0.129870D+02  0.149248D+02  0.144038D+02
      3  -0.264438D+02  0.239875D+01 -0.116023D+02  0.384064D+01  0.194598D+02
      4  -0.677649D+01  0.105707D+02  0.230875D+01 -0.363051D+02  0.147587D+02
      5  -0.187142D+02  0.252752D+01 -0.381263D+02 -0.132806D+02  0.349486D+01
      6  -0.198326D+01  0.442799D+00 -0.555978D+01  0.176364D+01  0.157795D+01
                66            67            68            69            70 
      1  -0.101494D+02 -0.706469D+02  0.265417D+02  0.176394D+00 -0.409987D+02
      2   0.724862D+01  0.360140D+02 -0.153347D+02 -0.289860D+00  0.173381D+02
      3   0.290074D+01  0.346328D+02 -0.112071D+02  0.113466D+00  0.236607D+02
      4   0.321680D+01  0.250129D+02  0.349403D+02 -0.525297D+01  0.552888D+01
      5   0.154409D+02  0.591816D+01 -0.643381D+01 -0.123117D+02  0.293575D+02
      6  -0.285983D-01 -0.100828D+01  0.248750D+01 -0.239034D+00 -0.116208D+01
                71            72            73            74            75 
      1   0.183398D+01  0.263118D+02  0.301268D+02  0.411363D+02  0.245079D+02
      2  -0.116832D+01 -0.602349D+01 -0.138517D+02 -0.233350D+02 -0.112477D+02
      3  -0.665662D+00 -0.202883D+02 -0.162751D+02 -0.178012D+02 -0.132602D+02
      4  -0.976522D+01 -0.130808D+02  0.417292D+02 -0.194210D+02 -0.743764D+01
      5  -0.126903D+02  0.558236D+02  0.269754D+02 -0.828450D+01 -0.301732D+02
      6   0.402202D+01  0.638325D+00 -0.175565D+00  0.124230D+01 -0.682146D-01
                76            77            78            79            80 
      1   0.570695D+02 -0.268322D+02 -0.118370D+02  0.393238D+02 -0.105769D+02
      2  -0.341878D+02  0.505483D+01  0.755315D+01 -0.162571D+02  0.724882D+01
      3  -0.228817D+02  0.217774D+02  0.428390D+01 -0.230666D+02  0.332805D+01
      4  -0.345842D+02 -0.582421D+02  0.228918D+02 -0.945362D+01  0.234979D+02
      5  -0.114952D+02  0.252036D+02  0.170710D+02 -0.478633D+02  0.141895D+02
      6   0.345876D+01  0.357626D+01 -0.571877D+00  0.314087D+00 -0.107786D+01
                81            82            83            84            85 
      1  -0.388819D+02  0.371061D+02  0.264325D+02  0.196312D+02  0.330037D+02
      2   0.258905D+02 -0.289186D+02 -0.803492D+01 -0.761240D+01 -0.124143D+02
      3   0.129914D+02 -0.818748D+01 -0.183975D+02 -0.120188D+02 -0.205894D+02
      4   0.143114D+02  0.237069D+02 -0.257357D+02 -0.133968D+02 -0.283852D+02
      5  -0.519396D+02  0.195567D+02 -0.950585D+01 -0.144210D+02 -0.899477D+01
      6  -0.268099D+01 -0.124081D+02  0.334481D+01  0.788914D+01  0.492174D+01
                86            87            88            89            90 
      1  -0.266074D+02 -0.332478D+01  0.264677D+02 -0.663790D+01 -0.942796D+01
      2   0.210199D+02 -0.373387D+01 -0.786119D+01 -0.333966D+01  0.366311D+01
      3   0.558752D+01  0.705865D+01 -0.186065D+02  0.997755D+01  0.576485D+01
      4  -0.136005D+02  0.120026D+02 -0.151204D+02  0.199848D+02  0.280693D+02
      5   0.116847D+02  0.181364D+02 -0.228313D+02  0.239814D+02 -0.353690D+02
      6  -0.898092D+01 -0.831196D+01  0.109481D+02 -0.121788D+02  0.162308D+02
                91            92            93            94            95 
      1   0.877849D+01  0.141647D+02  0.756683D+01  0.183719D+02 -0.181096D+01
      2  -0.482433D+01 -0.106894D+02 -0.103921D+01 -0.183444D+02 -0.340145D+01
      3  -0.395416D+01 -0.347539D+01 -0.652762D+01 -0.274510D-01  0.521241D+01
      4   0.103249D+02 -0.763982D+01 -0.209993D+01 -0.296327D+02 -0.202841D+02
      5   0.398497D+01 -0.231138D+01 -0.623777D+01 -0.151781D+02 -0.153799D+02
      6   0.105282D+01 -0.423721D+01 -0.156698D+01 -0.104483D+02 -0.856792D+01
                96            97            98            99           100 
      1  -0.664723D+01  0.223924D+02 -0.831271D+01 -0.856212D+01 -0.965768D+01
      2  -0.618769D+01 -0.837706D+01 -0.433433D+01  0.120766D+02  0.553798D+01
      3   0.128349D+02 -0.140154D+02  0.126470D+02 -0.351447D+01  0.411970D+01
      4  -0.147638D+02 -0.139248D+02 -0.681483D+01  0.182309D+02 -0.968721D+01
      5   0.135509D+02 -0.188975D+02  0.186589D+02 -0.153284D+02  0.145686D+02
      6  -0.749271D+01  0.153804D+01 -0.161137D+01  0.579256D+01  0.241783D+01
               101           102           103           104           105 
      1  -0.109204D+02  0.376360D+01 -0.192823D+02  0.193105D+01  0.191900D+02
      2   0.107298D+02 -0.748359D+01  0.198262D+02 -0.100564D+02 -0.181299D+02
      3   0.190631D+00  0.371999D+01 -0.543894D+00  0.812534D+01 -0.106010D+01
      4  -0.705665D+01  0.106089D+02 -0.762704D+01  0.664271D+01 -0.122650D+01
      5   0.112331D+02 -0.331639D+01  0.318023D+02 -0.965650D+00 -0.248409D+02
      6   0.392749D+01 -0.111405D+01 -0.164103D+01  0.418283D+01 -0.193797D+01
               106           107           108           109           110 
      1   0.249642D+02  0.139807D+02 -0.195917D+01  0.496773D+02  0.160729D+02
      2  -0.167246D+02 -0.867403D+01  0.100759D+02 -0.307805D+02 -0.977031D+01
      3  -0.823961D+01 -0.530670D+01 -0.811669D+01 -0.188967D+02 -0.630260D+01
      4   0.187647D+02  0.153102D+02 -0.212233D+02  0.196423D+02  0.204183D+02
      5  -0.123283D+02 -0.209130D+02  0.285705D+02 -0.355811D+02 -0.106848D+02
      6  -0.373306D+01 -0.441053D+01  0.402457D+01 -0.443588D+01 -0.429839D+01
               111           112           113           114           115 
      1  -0.241309D+02  0.313574D+02  0.664677D+01 -0.914207D+01 -0.427537D+02
      2   0.176666D+02 -0.178759D+02 -0.246068D+01  0.107150D+02  0.286873D+02
      3   0.646432D+01 -0.134815D+02 -0.418609D+01 -0.157290D+01  0.140664D+02
      4  -0.817441D+01  0.215840D+02  0.347741D+02 -0.163182D+02 -0.100569D+02
      5   0.239540D+02 -0.211523D+02 -0.168914D+02  0.243205D+02  0.433407D+02
      6   0.343944D+01 -0.493034D+01 -0.854317D+01  0.109741D+02  0.171921D+01
               116           117           118           119           120 
      1  -0.372829D+01  0.988231D+01  0.200135D+01 -0.557958D+01  0.148631D+02
      2   0.759993D+01 -0.292014D+02  0.127413D+01  0.186213D+01 -0.616890D+01
      3  -0.387164D+01  0.193191D+02 -0.327548D+01  0.371745D+01 -0.869418D+01
      4  -0.288503D+02  0.205241D+02  0.858547D+00 -0.326524D+01 -0.170574D+02
      5   0.202673D+02 -0.630753D+02  0.200181D+02 -0.135851D+02 -0.779363D+01
      6   0.125085D+02 -0.870643D+01 -0.829571D+01  0.675637D+01  0.423420D+01
               121           122           123           124           125 
      1  -0.108935D+02 -0.124792D+02 -0.124917D+02  0.285398D+02 -0.188938D+02
      2  -0.956453D+00  0.295259D+02  0.604609D+01 -0.100717D+02  0.417363D+01
      3   0.118500D+02 -0.170467D+02  0.644559D+01 -0.184681D+02  0.147202D+02
      4   0.153495D+02 -0.374503D+02  0.142499D+02 -0.321619D+02  0.306946D+02
      5  -0.160606D+02  0.158996D+02  0.342054D+01 -0.111954D+02  0.648525D+01
      6   0.600549D+01 -0.230620D+01  0.443068D+01  0.726556D+01  0.142601D+01
               126           127           128           129           130 
      1  -0.118121D+02  0.201535D+01 -0.360755D+01  0.188523D+01 -0.364768D+00
      2   0.518308D+01  0.303960D+00  0.516138D+01 -0.584534D+00  0.891086D+00
      3   0.662899D+01 -0.231931D+01 -0.155383D+01 -0.130070D+01 -0.526318D+00
      4   0.868144D+01  0.105374D+02  0.927954D+01 -0.686887D+01  0.835525D+01
      5   0.247973D+02 -0.123647D+02 -0.777480D+01  0.101074D+02 -0.992075D+01
      6  -0.989979D+01 -0.830941D+01 -0.750876D+01  0.759084D+01 -0.780125D+01
               131           132           133           134           135 
      1  -0.798568D+01  0.763605D+01  0.414619D+01  0.104649D+02 -0.123873D+02
      2   0.745860D+01 -0.267506D+01 -0.910235D+00 -0.686378D+01  0.181724D+01
      3   0.527079D+00 -0.496099D+01 -0.323595D+01 -0.360117D+01  0.105701D+02
      4   0.987067D+01 -0.697739D+01 -0.749375D+01 -0.764972D+01  0.796916D+01
      5  -0.846790D+01  0.100779D+02  0.108120D+02  0.905514D+01 -0.140899D+02
      6  -0.115050D+02  0.113082D+02  0.882837D+01  0.134962D+02 -0.152561D+02
               136           137           138           139           140 
      1  -0.274789D+01  0.193574D+01 -0.581352D+01  0.318984D+01 -0.735885D+01
      2  -0.321002D+01  0.227973D+00 -0.394037D+01  0.357062D+00  0.209279D+01
      3   0.595791D+01 -0.216371D+01  0.975389D+01 -0.354690D+01  0.526607D+01
      4  -0.470688D+01  0.388119D+01 -0.524031D+01  0.304145D+01 -0.331810D+01
      5   0.866666D+01 -0.371850D+01  0.109024D+02 -0.372870D+01  0.309058D+01
      6  -0.477184D+01  0.340494D+01 -0.514596D+01  0.351416D+01 -0.790386D+01
               141           142           143           144           145 
      1   0.123632D+02 -0.713232D+01  0.119135D+02 -0.267342D+02  0.220786D+01
      2   0.895018D+00 -0.209384D+01 -0.230312D+01 -0.611768D+01 -0.148848D+01
      3  -0.132582D+02  0.922616D+01 -0.961036D+01  0.328518D+02 -0.719386D+00
      4   0.405380D+01 -0.601052D+01  0.646265D+01 -0.931487D+01  0.504185D+01
      5  -0.459835D+01  0.102915D+02 -0.567332D+01  0.153098D+02 -0.885885D+01
      6   0.107951D+02 -0.753376D+01  0.129350D+02 -0.203138D+02 -0.368759D+01
               146           147           148           149           150 
      1  -0.156889D+01  0.134323D+01 -0.162689D+01 -0.510817D+01  0.577213D+01
      2   0.189430D+01  0.990048D+00  0.115811D+00  0.339013D+01 -0.362183D+00
      3  -0.325406D+00 -0.233327D+01  0.151108D+01  0.171803D+01 -0.540995D+01
      4   0.499809D+01 -0.291077D+01  0.473490D+01  0.541755D+01 -0.318889D+01
      5  -0.398828D+01  0.724565D+01 -0.659883D+01 -0.551555D+01  0.746987D+01
      6  -0.333071D+01  0.369904D+01 -0.396309D+01 -0.648578D+01  0.646897D+01
               151           152           153           154           155 
      1   0.262787D+01  0.659177D+01 -0.996155D+01 -0.870637D+00  0.282330D+00
      2   0.101782D+01 -0.306378D+01 -0.124437D+01 -0.411919D+01  0.111284D+01
      3  -0.364569D+01 -0.352798D+01  0.112059D+02  0.498982D+01 -0.139517D+01
      4  -0.433538D+01 -0.425388D+01  0.383303D+01 -0.336526D+01  0.274363D+01
      5   0.891358D+01  0.558747D+01 -0.113197D+02  0.738243D+01 -0.287935D+01
      6   0.514514D+01  0.781340D+01 -0.933742D+01 -0.195785D+01  0.211335D+01
               156           157           158           159           160 
      1  -0.386415D+01  0.266611D+01 -0.536962D+01  0.101155D+02 -0.253833D+01
      2  -0.485376D+01  0.269430D+00  0.670510D+00  0.223312D+01 -0.504114D+01
      3   0.871791D+01 -0.293554D+01  0.469911D+01 -0.123486D+02  0.757946D+01
      4  -0.322449D+01  0.241900D+01 -0.240119D+01  0.328690D+01 -0.472153D+01
      5   0.994773D+01 -0.288294D+01  0.295900D+01 -0.398312D+01  0.100991D+02
      6  -0.147682D+01  0.245090D+01 -0.498230D+01  0.610355D+01 -0.372921D+01
               161           162           163           164           165 
      1   0.695899D+01 -0.219372D+02  0.143109D+02  0.662508D+01 -0.209419D+01
      2   0.517894D+00 -0.998020D+01 -0.121129D+01  0.479793D+00  0.769026D+00
      3  -0.747688D+01  0.319174D+02 -0.130996D+02 -0.710487D+01  0.132516D+01
      4   0.498359D+01 -0.687581D+01  0.140738D+02  0.171487D+02  0.169348D+01
      5  -0.451231D+01  0.154198D+02 -0.160992D+01  0.215143D+01  0.345278D+01
      6   0.795728D+01 -0.109016D+02  0.761021D+00  0.159752D+01  0.876304D+00
               166           167           168           169           170 
      1   0.130353D+02 -0.105170D+02 -0.175840D+00 -0.152013D+02  0.749420D+00
      2   0.330111D+01  0.318128D+02  0.329528D+00  0.479207D+01 -0.338221D+01
      3  -0.163365D+02 -0.212958D+02 -0.153689D+00  0.104093D+02  0.263279D+01
      4   0.280342D+02  0.546285D+02  0.282528D+01 -0.318712D+01 -0.717457D+01
      5   0.329293D+01  0.169649D+01  0.541723D+01  0.515968D+01  0.556179D+01
      6   0.303101D+01  0.672102D+01  0.533639D+01  0.183501D+01  0.512058D+01
               171           172           173           174           175 
      1  -0.135793D+01  0.697572D+01 -0.233876D+01  0.558793D+01 -0.108081D+02
      2   0.107882D+01 -0.771369D+01  0.141126D+01 -0.536866D+01  0.649656D+01
      3   0.279109D+00  0.737965D+00  0.927501D+00 -0.219272D+00  0.431153D+01
      4   0.566935D+01 -0.130288D+01  0.456374D+01  0.236417D+01  0.483882D+01
      5   0.153471D+01  0.105628D+02  0.162382D+01  0.133353D+02 -0.202611D+01
      6  -0.863433D-02  0.983029D+00  0.117716D+01  0.156318D+01  0.963782D+00
               176           177           178           179           180 
      1  -0.332326D+00 -0.263023D+00  0.114900D+02 -0.223231D+01 -0.116377D+02
      2   0.377825D+00  0.226207D+01 -0.117771D+02  0.718266D+00 -0.150469D+02
      3  -0.454992D-01 -0.199905D+01  0.287135D+00  0.151404D+01  0.266846D+02
      4   0.210430D+01  0.441265D+01  0.317196D+01  0.686121D+01  0.465924D+01
      5   0.453653D+01 -0.553074D+01  0.183775D+02  0.448959D+01  0.441528D+02
      6   0.364519D+00  0.386885D+01  0.338568D+01  0.561734D+01  0.105021D+02
               181           182           183           184           185 
      1  -0.401278D+01  0.673322D+01 -0.964614D+01  0.132724D+02 -0.772220D+01
      2  -0.134063D+01 -0.281754D+01  0.302990D+01 -0.649459D+01  0.332759D+01
      3   0.535341D+01 -0.391569D+01  0.661625D+01 -0.677784D+01  0.439461D+01
      4   0.700675D+01 -0.185802D+01 -0.734281D+00 -0.646459D+00 -0.512648D+00
      5  -0.697109D+01 -0.746760D+00 -0.128212D+01  0.374528D+00 -0.683432D+01
      6  -0.226416D+00  0.127728D+00 -0.147023D+00  0.358077D+00 -0.184923D+01
               186           187           188           189           190 
      1   0.161216D+01 -0.174875D+02  0.722199D-02 -0.198420D+02  0.119795D+02
      2   0.493621D+00  0.838045D+01  0.228243D+01 -0.887672D+01 -0.326472D+01
      3  -0.210579D+01  0.910706D+01 -0.228965D+01  0.287187D+02 -0.871474D+01
      4  -0.656836D+01 -0.106045D+01 -0.909577D+01  0.651676D+01  0.153559D+02
      5   0.668134D+01  0.175845D+01  0.643651D+01 -0.532609D+02 -0.585038D+01
      6   0.626462D+01 -0.184295D+00  0.374143D+01 -0.174142D+01 -0.124447D+01
               191           192           193           194           195 
      1   0.139241D+02 -0.558188D+01  0.339473D+02  0.200028D+02 -0.113094D+01
      2  -0.470826D+01  0.247675D+01 -0.116824D+02  0.712945D+01 -0.841446D+00
      3  -0.921586D+01  0.310513D+01 -0.222649D+02 -0.271323D+02  0.197239D+01
      4   0.194149D+02 -0.227862D+01  0.416323D+02  0.863028D+02 -0.122511D+02
      5  -0.232243D+01  0.611427D+01 -0.499901D+01 -0.136903D+02  0.137412D+02
      6  -0.567627D+00  0.529086D+00 -0.215671D+01 -0.458660D+01  0.578842D+01
               196           197           198           199           200 
      1  -0.123370D+02 -0.169717D+01  0.713029D+01  0.201794D+02 -0.415710D+01
      2   0.561042D+01 -0.789974D+00 -0.369907D+01 -0.132223D+02  0.258431D+01
      3   0.672655D+01  0.248714D+01 -0.343121D+01 -0.695712D+01  0.157279D+01
      4  -0.601023D+01 -0.158523D+02  0.100161D+02 -0.370315D+01  0.561938D+01
      5   0.129168D+02  0.108206D+02 -0.316384D+01  0.169127D+02  0.216623D+00
      6   0.213086D+01  0.584415D+01 -0.255824D+01  0.490490D+00  0.102091D+00
               201           202           203           204           205 
      1   0.153972D+02 -0.124037D+02  0.610432D+01 -0.124926D+01  0.412240D+02
      2  -0.969252D+01  0.735407D+01 -0.269903D+01  0.145396D+01 -0.260076D+02
      3  -0.570467D+01  0.504962D+01 -0.340529D+01 -0.204706D+00 -0.152164D+02
      4   0.401019D+00  0.108808D+02  0.230376D+01  0.713051D+01  0.259075D+01
      5   0.213132D+02 -0.304985D+01  0.671072D+01 -0.825356D+01  0.419683D+02
      6   0.921856D+00  0.146319D+01 -0.991642D+00  0.374699D+01  0.110966D+01
               206           207           208           209           210 
      1   0.264857D+01  0.247932D+02  0.901446D+02 -0.249704D+02 -0.286428D+02
      2  -0.901729D+00 -0.257205D+02 -0.471884D+02  0.129784D+02  0.158182D+02
      3  -0.174684D+01  0.927294D+00 -0.429562D+02  0.119920D+02  0.128246D+02
      4   0.132735D+02 -0.305085D+01 -0.255700D+02  0.200740D+02  0.899459D+01
      5  -0.221676D+01  0.741897D+02 -0.326435D+02  0.967196D+01  0.247608D+02
      6   0.419401D+01  0.306882D+01  0.142919D+01 -0.968163D+00 -0.416352D+00
               211           212           213           214           215 
      1  -0.555953D+02  0.217151D+02  0.129902D+02 -0.535355D+02  0.102941D+02
      2   0.284587D+02 -0.859290D+01 -0.743628D+01  0.295245D+02 -0.624193D+01
      3   0.271366D+02 -0.131222D+02 -0.555395D+01  0.240110D+02 -0.405215D+01
      4   0.288096D+02 -0.181702D+02 -0.133787D+02  0.123982D+02 -0.171803D+02
      5   0.169726D+02 -0.138113D+02 -0.170091D+02  0.359985D+02 -0.120696D+02
      6  -0.244795D+01  0.222357D+01  0.245565D+01 -0.155394D+01  0.282448D+01
               216           217           218           219           220 
      1   0.263826D+02  0.317103D+02 -0.169320D+02 -0.118195D+02 -0.156723D+02
      2  -0.179162D+02 -0.784948D+01 -0.167886D+01  0.381320D+01 -0.147861D+01
      3  -0.846634D+01 -0.238608D+02  0.186109D+02  0.800626D+01  0.171509D+02
      4  -0.115134D+02 -0.376959D+02  0.367928D+02  0.142040D+02  0.336908D+02
      5  -0.228727D+02 -0.177044D+02  0.112726D+02  0.151794D+02  0.108577D+02
      6   0.222843D+01  0.871746D+01 -0.674254D+01 -0.817470D+01 -0.704678D+01
               221           222           223           224           225 
      1   0.945128D+01  0.309405D+01 -0.189424D+02  0.472001D+01  0.716999D+01
      2   0.101894D+02  0.353110D+01  0.642153D+01  0.507369D+01 -0.252464D+01
      3  -0.196406D+02 -0.662515D+01  0.125209D+02 -0.979370D+01 -0.464535D+01
      4  -0.395324D+02 -0.163529D+02  0.222505D+02 -0.272020D+02 -0.197314D+02
      5  -0.151538D+02 -0.126216D+02  0.190089D+02 -0.172904D+02 -0.162745D+02
      6   0.106578D+02  0.920843D+01 -0.966201D+01  0.114492D+02  0.938225D+01
               226           227           228           229           230 
      1   0.300716D+01 -0.517267D+01  0.626417D+01 -0.304014D+01 -0.108091D+01
      2  -0.117810D+01  0.964435D+00 -0.396688D+01 -0.126743D+00  0.289500D+01
      3  -0.182906D+01  0.420824D+01 -0.229729D+01  0.316688D+01 -0.181408D+01
      4  -0.837404D+01  0.952806D+01 -0.449715D+01  0.771161D+01 -0.903376D+01
      5   0.821459D+01 -0.294586D+01  0.115344D+02 -0.166277D+01  0.802678D+01
      6  -0.292663D+01  0.132324D+01 -0.410852D+01  0.182286D+01 -0.560195D+01
               231           232           233           234           235 
      1   0.336302D+01  0.120335D+02  0.553468D+01 -0.426166D+01 -0.540379D+02
      2  -0.390801D+01 -0.677436D+01 -0.693440D+01 -0.474320D+01  0.307073D+02
      3   0.544993D+00 -0.525912D+01  0.139972D+01  0.900486D+01  0.233306D+02
      4   0.832384D+01 -0.999427D+01  0.197755D+02 -0.205712D+02  0.897324D+01
      5  -0.874364D+01  0.156681D+02 -0.180289D+02  0.477209D+02 -0.472514D+01
      6   0.973329D+01 -0.670050D+01  0.133957D+02 -0.252143D+02  0.430667D+01
               236           237           238           239           240 
      1  -0.197542D+02 -0.929517D+01 -0.142673D+02 -0.145120D+02 -0.303517D+01
      2   0.178246D+02  0.511321D+01  0.122781D+02  0.131760D+02  0.305825D+01
      3   0.192966D+01  0.418197D+01  0.198920D+01  0.133606D+01 -0.230734D-01
      4  -0.808079D+01  0.184626D+01  0.618597D-01 -0.197331D+01 -0.163235D+01
      5  -0.718218D+00 -0.270653D+01 -0.749047D+00 -0.238675D+01 -0.287146D+01
      6   0.225121D+01  0.400622D+01  0.137290D+01  0.213607D+01  0.344438D+01
               241           242           243           244           245 
      1  -0.955534D+01 -0.439163D+01 -0.688166D+01  0.143946D+01 -0.563910D+01
      2   0.453203D+01  0.403702D+01  0.335450D+01 -0.554991D+01  0.405509D+01
      3   0.502330D+01  0.354616D+00  0.352715D+01  0.411045D+01  0.158401D+01
      4   0.206804D+01 -0.429661D+01 -0.398877D+01 -0.696818D+01  0.521233D+01
      5   0.480656D+00 -0.495271D+01  0.914408D+00  0.109481D+02 -0.295686D+01
      6   0.232857D+01  0.458906D+01  0.867134D+00 -0.351226D+01  0.125596D+01
               246           247           248           249           250 
      1   0.493042D+01 -0.823269D+01 -0.776860D+00  0.347789D+01  0.580143D+01
      2  -0.519121D+01  0.558736D+01 -0.199568D+01  0.331931D+01 -0.791681D+01
      3   0.260795D+00  0.264533D+01  0.277254D+01 -0.679720D+01  0.211537D+01
      4  -0.252613D+01  0.810595D+01 -0.956828D+01  0.940904D+01 -0.315346D+01
      5   0.117621D+02 -0.434922D+01  0.990154D+01 -0.134610D+02  0.170930D+02
      6  -0.995568D+00  0.293127D+01 -0.578880D+01  0.734876D+01 -0.180495D+01
               251           252           253           254           255 
      1   0.154510D+01 -0.549175D+01 -0.391326D+02 -0.312153D+02 -0.317851D+02
      2   0.475236D+01 -0.145673D+02  0.201053D+02  0.176798D+02  0.116026D+02
      3  -0.629747D+01  0.200590D+02  0.190272D+02  0.135354D+02  0.201825D+02
      4   0.116502D+02 -0.104771D+02 -0.403945D+02 -0.542803D+01 -0.108634D+02
      5  -0.103151D+02  0.343907D+02 -0.371078D+02 -0.694104D+01  0.193260D+01
      6   0.669184D+01 -0.620141D+01 -0.186772D+02  0.258484D+01  0.914199D+01
               256           257           258           259           260 
      1  -0.186434D+02 -0.802029D+00 -0.811664D+00 -0.300774D+02  0.377864D-01
      2   0.184122D+02  0.106744D+02  0.136035D+02  0.117337D+02  0.123998D+02
      3   0.231253D+00 -0.987237D+01 -0.127918D+02  0.183437D+02 -0.124375D+02
      4   0.124242D+02  0.242913D+02  0.142286D+02 -0.766633D+01  0.984634D+01
      5   0.275647D+00  0.150684D+02 -0.104483D+02  0.487300D+01 -0.157505D+02
      6   0.880480D+01  0.126110D+02 -0.641740D+01  0.755629D+01 -0.130018D+02
               261           262           263           264           265 
      1   0.219895D+02  0.303770D+02 -0.175430D+02 -0.138608D+02 -0.101310D+02
      2  -0.196564D+02 -0.125108D+02  0.545314D+01  0.625454D+01  0.123615D+01
      3  -0.233313D+01 -0.178662D+02  0.120898D+02  0.760621D+01  0.889488D+01
      4  -0.955308D+01 -0.294145D+02  0.243087D+02  0.136894D+02  0.192526D+02
      5   0.650886D+01 -0.188427D+02  0.121598D+02  0.153035D+02  0.843910D+01
      6  -0.350062D+01  0.797241D+01 -0.577656D+01 -0.548454D+01 -0.453579D+01
               266           267           268           269           270 
      1   0.690219D+01  0.339207D+01 -0.235890D+02  0.133444D+02  0.134212D+02
      2   0.287335D+01  0.347175D+00  0.111470D+02 -0.379074D+01 -0.770149D+01
      3  -0.977554D+01 -0.373925D+01  0.124420D+02 -0.955367D+01 -0.571968D+01
      4  -0.255795D+02 -0.105277D+02  0.286287D+02 -0.292623D+02 -0.230753D+02
      5  -0.957204D+01 -0.953454D+01  0.265384D+02 -0.210146D+02 -0.264769D+02
      6   0.674446D+01  0.542458D+01 -0.111524D+02  0.113973D+02  0.122061D+02
               271           272           273           274           275 
      1  -0.125981D+02  0.171499D+02  0.196584D+02  0.820127D+01 -0.152849D+02
      2   0.504656D+01 -0.123224D+02 -0.651945D+01 -0.608427D+01  0.117076D+02
      3   0.755150D+01 -0.482757D+01 -0.131390D+02 -0.211700D+01  0.357736D+01
      4  -0.137481D+01 -0.355734D+01  0.941515D+00  0.117591D+01  0.309469D+01
      5   0.280068D+01 -0.266623D+01 -0.493889D+01  0.149903D+00  0.322817D+01
      6   0.834894D+01 -0.103949D+02 -0.127276D+02 -0.454678D+01  0.109526D+02
               276           277           278           279           280 
      1  -0.110880D+02  0.161446D+02 -0.163827D+02 -0.270464D+02  0.132951D+01
      2   0.642387D+01 -0.570620D+01  0.871643D+01  0.577708D+01  0.146314D+01
      3   0.466411D+01 -0.104384D+02  0.766624D+01  0.212694D+02 -0.279265D+01
      4   0.271467D+01  0.575136D+01  0.735921D+01  0.589939D+01  0.446843D+01
      5   0.586741D+01  0.138174D+01  0.105653D+02  0.152510D+02 -0.328533D+00
      6   0.122646D+02 -0.560330D+01  0.173755D+02  0.221130D+02 -0.103055D+01
               281           282           283           284           285 
      1   0.823553D+01 -0.921393D+00  0.615878D+01 -0.115514D+02  0.457483D+01
      2  -0.699474D+01  0.161109D+01 -0.306941D+01  0.214681D+02 -0.116607D+02
      3  -0.124080D+01 -0.689702D+00 -0.308938D+01 -0.991672D+01  0.708588D+01
      4   0.103610D+01 -0.448451D+00  0.492393D+01  0.145821D+02 -0.811368D+01
      5   0.147991D+01 -0.965828D+00  0.334623D+00 -0.997685D+01  0.986877D+01
      6  -0.120648D-01 -0.268419D+01 -0.456235D+00 -0.682965D+01  0.886284D+01
               286           287           288           289           290 
      1  -0.589375D+01  0.895690D+01 -0.830103D+01  0.750049D+02  0.179332D+02
      2   0.207053D+01 -0.193801D+02  0.120163D+02 -0.343713D+02 -0.180299D+01
      3   0.382322D+01  0.104232D+02 -0.371532D+01 -0.406336D+02 -0.161302D+02
      4  -0.696536D+01 -0.183688D+02  0.686723D+01  0.546261D+02  0.308133D+02
      5  -0.100617D+01  0.936724D+01 -0.175716D+02  0.410036D+02  0.143542D+02
      6  -0.198994D+01  0.760472D+01 -0.129589D+02  0.159569D+02  0.970325D+01
               291           292           293           294           295 
      1   0.166853D+02  0.909864D+01  0.810250D+01  0.169472D+01  0.147706D+02
      2  -0.102628D+02  0.781600D+00  0.985637D-01 -0.575847D+00 -0.993720D+01
      3  -0.642250D+01 -0.988024D+01 -0.820106D+01 -0.111887D+01 -0.483343D+01
      4   0.156300D+02  0.206013D+02  0.133709D+02  0.489154D+01  0.135968D+02
      5   0.212616D+02  0.699610D+01  0.595396D+01  0.498473D+01  0.210822D+02
      6   0.909756D+01  0.588663D+01  0.402045D+01  0.495641D+01  0.808184D+01
               296           297 
      1   0.244871D+01  0.663761D+01
      2  -0.166436D+01 -0.491409D+01
      3  -0.784354D+00 -0.172352D+01
      4   0.746450D+01  0.103615D+02
      5   0.930320D+01  0.135694D+02
      6   0.710965D+01  0.679543D+01
 Leave Link  716 at Mon Sep 27 11:08:16 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216957D+03  0.996418D+01  0.341243D+01
      2   0.996418D+01  0.139983D+03 -0.967353D+01
      3   0.341243D+01 -0.967353D+01  0.143425D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.353965D+01  0.399798D+01 -0.451654D+01
      2  -0.342259D+02 -0.279880D+01 -0.459057D+02
      3  -0.863353D+01  0.445761D+02 -0.301348D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.262786D+03 -0.255389D+02 -0.559370D+02
      2   0.126025D+03  0.306823D+02  0.346617D+02
      3   0.136761D+03 -0.514341D+01  0.212753D+02
      4   0.150602D+02 -0.870888D+02  0.582612D+01
      5  -0.789386D+01  0.728663D+01 -0.829946D+02
      6   0.124093D+02  0.357282D+02  0.188145D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.882484D+01  0.148527D+01  0.143446D+01 -0.255319D+01 -0.410858D+00
      2   0.148527D+01 -0.676876D+00  0.781838D+00 -0.410858D+00 -0.404913D+01
      3   0.143446D+01  0.781838D+00 -0.313766D+01 -0.210209D+01  0.868058D+00
                 6             7             8             9            10 
      1  -0.210209D+01  0.133597D+02  0.406542D+00  0.100660D+01 -0.293925D+02
      2   0.868058D+00  0.406542D+00 -0.135407D+01  0.140608D+01 -0.159499D+01
      3   0.711359D+00  0.100660D+01  0.140608D+01  0.130136D+01 -0.257697D+01
                11            12            13            14            15 
      1  -0.159499D+01 -0.257697D+01 -0.327865D+01 -0.408718D+01 -0.220844D+01
      2  -0.174948D+01  0.680056D+00 -0.408718D+01 -0.225765D+01 -0.648850D+00
      3   0.680056D+00 -0.258989D+01 -0.220844D+01 -0.648850D+00 -0.157781D+01
                16            17            18            19            20 
      1  -0.576599D+01 -0.233879D+01 -0.179860D+01 -0.114890D+02 -0.231676D+01
      2  -0.233879D+01 -0.547741D+00 -0.905846D+00 -0.231676D+01  0.231947D+01
      3  -0.179860D+01 -0.905846D+00 -0.980327D+00 -0.160173D+01 -0.176629D+01
                21            22            23            24            25 
      1  -0.160173D+01 -0.104807D+02  0.782267D-01 -0.521491D+00  0.720771D+01
      2  -0.176629D+01  0.782267D-01 -0.250564D+01  0.116630D+01  0.215557D+01
      3   0.572113D+00 -0.521491D+00  0.116630D+01  0.278419D+01 -0.809681D-01
                26            27            28            29            30 
      1   0.215557D+01 -0.809681D-01  0.261436D+02  0.326132D+01  0.289463D+01
      2   0.530188D+00  0.142392D+01  0.326132D+01  0.205724D+01 -0.102752D+00
      3   0.142392D+01  0.301271D+01  0.289463D+01 -0.102752D+00  0.249840D+01
                31            32            33            34            35 
      1   0.252467D+01  0.394871D+01  0.253071D+01  0.273640D+01  0.275806D+01
      2   0.394871D+01  0.172569D+01  0.137337D+01  0.275806D+01  0.178508D+01
      3   0.253071D+01  0.137337D+01  0.106212D+01  0.233279D+01 -0.431328D+00
                36            37            38            39            40 
      1   0.233279D+01 -0.782131D+01 -0.149518D+01 -0.185631D+01  0.365937D+01
      2  -0.431328D+00 -0.149518D+01  0.584079D-01 -0.721008D-01  0.110867D+01
      3   0.830568D+00 -0.185631D+01 -0.721008D-01  0.291391D+01  0.169008D+01
                41            42            43            44            45 
      1   0.110867D+01  0.169008D+01 -0.131379D+02 -0.140778D+01 -0.873802D+00
      2   0.382938D+01 -0.110178D+01 -0.140778D+01 -0.991467D-01 -0.739288D+00
      3  -0.110178D+01 -0.694620D+00 -0.873802D+00 -0.739288D+00 -0.171462D+01
                46            47            48            49            50 
      1   0.105513D+02  0.202301D+01  0.156379D+01  0.103483D+02 -0.593375D+00
      2   0.202301D+01 -0.127428D+01  0.816640D+00 -0.593375D+00  0.225715D+01
      3   0.156379D+01  0.816640D+00 -0.345607D-02  0.128749D+01 -0.166545D+01
                51            52            53            54            55 
      1   0.128749D+01 -0.699294D+01 -0.148127D+01  0.216868D-02  0.171195D+02
      2  -0.166545D+01 -0.148127D+01 -0.694674D+00 -0.118092D+01 -0.124142D+01
      3  -0.251677D+01  0.216868D-02 -0.118092D+01 -0.289784D+01 -0.131391D+00
                56            57            58            59            60 
      1  -0.124142D+01 -0.131391D+00 -0.418740D+01  0.497559D+01  0.981273D+00
      2   0.216358D+01  0.388402D+00  0.497559D+01  0.540332D+01 -0.317429D+00
      3   0.388402D+00  0.111086D+01  0.981273D+00 -0.317429D+00 -0.883709D+00
                61            62            63            64            65 
      1  -0.592099D+01  0.113024D+01  0.244351D+01 -0.327043D+01  0.410359D+01
      2   0.113024D+01 -0.155594D+01 -0.361003D+00  0.410359D+01 -0.188380D+01
      3   0.244351D+01 -0.361003D+00  0.553012D+01  0.119905D+01 -0.459728D+00
                66            67            68            69            70 
      1   0.119905D+01  0.110206D+02 -0.307940D+01 -0.471056D+00  0.806299D+01
      2  -0.459728D+00 -0.307940D+01 -0.428638D+01  0.595282D+00 -0.693721D+00
      3  -0.206629D+01 -0.471056D+00  0.595282D+00  0.167445D+01 -0.288208D+01
                71            72            73            74            75 
      1  -0.693721D+00 -0.288208D+01 -0.297546D+01 -0.357144D+01 -0.206838D+01
      2   0.134297D+01  0.163763D+01 -0.357144D+01  0.183659D+01  0.670942D+00
      3   0.163763D+01 -0.685530D+01 -0.206838D+01  0.670942D+00  0.269679D+01
                76            77            78            79            80 
      1  -0.543189D+01  0.320838D+01  0.899678D+00 -0.382334D+01  0.860615D+00
      2   0.320838D+01  0.546216D+01 -0.205192D+01  0.860615D+00 -0.225621D+01
      3   0.899678D+00 -0.205192D+01 -0.155957D+01  0.404515D+01 -0.122518D+01
                81            82            83            84            85 
      1   0.404515D+01 -0.342471D+01 -0.393357D+01 -0.265840D+01 -0.515426D+01
      2  -0.122518D+01 -0.393357D+01  0.204141D+01  0.837356D+00  0.202962D+01
      3   0.470860D+01 -0.265840D+01  0.837356D+00  0.174246D+01  0.790009D+00
                86            87            88            89            90 
      1   0.202962D+01  0.790009D+00 -0.389357D+01  0.983850D+00  0.254375D+01
      2   0.262557D+01 -0.131143D+01  0.983850D+00 -0.217587D+01 -0.289863D+01
      3  -0.131143D+01 -0.219792D+01  0.254375D+01 -0.289863D+01  0.450921D+01
                91            92            93            94            95 
      1  -0.353104D+01  0.576467D+00 -0.383490D+00  0.841095D+00 -0.471701D+01
      2   0.576467D+00 -0.200208D+01 -0.637163D+00 -0.471701D+01 -0.349878D+01
      3  -0.383490D+00 -0.637163D+00 -0.142814D+01 -0.238577D+01 -0.248870D+01
                96            97            98            99           100 
      1  -0.238577D+01  0.427607D+01 -0.183969D+01 -0.280368D+01 -0.282752D+01
      2  -0.248870D+01 -0.183969D+01 -0.105929D+01  0.262870D+01 -0.169012D+01
      3   0.170568D+01 -0.280368D+01  0.262870D+01 -0.186011D+01  0.128295D+01
               101           102           103           104           105 
      1  -0.169012D+01  0.128295D+01 -0.361585D+01  0.410774D+00  0.294448D+01
      2  -0.247241D+00  0.116620D+01  0.410774D+00  0.284550D+00  0.160762D+00
      3   0.116620D+01  0.228685D+00  0.294448D+01  0.160762D+00 -0.344389D+01
               106           107           108           109           110 
      1   0.246114D+01  0.167984D+01 -0.898871D+00  0.557042D+01  0.221976D+01
      2   0.167984D+01  0.698922D+00 -0.252851D+01  0.221976D+01  0.151022D+01
      3  -0.898871D+00 -0.252851D+01  0.196403D+01 -0.332415D+01 -0.866550D+00
               111           112           113           114           115 
      1  -0.332415D+01  0.554977D+01  0.183150D+01 -0.197661D+01 -0.790430D+01
      2  -0.866550D+00  0.183150D+01  0.420148D+01 -0.189391D+01 -0.101165D+01
      3   0.160679D+01 -0.197661D+01 -0.189391D+01  0.287396D+01  0.381764D+01
               116           117           118           119           120 
      1  -0.101165D+01  0.381764D+01 -0.681733D+00  0.912655D-01  0.206831D+01
      2  -0.295367D+01  0.228663D+01  0.912655D-01 -0.130945D+01 -0.152788D+01
      3   0.228663D+01 -0.689258D+01  0.206831D+01 -0.152788D+01 -0.148826D+01
               121           122           123           124           125 
      1  -0.269727D+01  0.456111D+00 -0.153042D+01  0.442759D+01 -0.295917D+01
      2   0.456111D+00 -0.434578D+01  0.138449D+01 -0.295917D+01  0.342049D+01
      3  -0.153042D+01  0.138449D+01  0.808059D+00 -0.154891D+01  0.707599D+00
               126           127           128           129           130 
      1  -0.154891D+01 -0.334234D+01 -0.185627D+01  0.178984D+01 -0.220072D+01
      2   0.707599D+00 -0.185627D+01 -0.180191D+01  0.136257D+01 -0.159030D+01
      3   0.292388D+01  0.178984D+01  0.136257D+01 -0.148087D+01  0.179126D+01
               131           132           133           134           135 
      1  -0.159030D+01  0.179126D+01  0.215884D+01  0.154470D+01 -0.193130D+01
      2  -0.219488D+01  0.182481D+01  0.154470D+01  0.249861D+01 -0.237344D+01
      3   0.182481D+01 -0.242570D+01 -0.193130D+01 -0.237344D+01  0.337149D+01
               136           137           138           139           140 
      1   0.193014D+01 -0.588086D+00  0.200325D+01 -0.664259D+00  0.338061D+00
      2  -0.588086D+00  0.419869D+00 -0.644093D+00  0.338061D+00 -0.113668D+01
      3   0.200325D+01 -0.644093D+00  0.230079D+01 -0.855408D+00  0.134408D+01
               141           142           143           144           145 
      1  -0.855408D+00  0.199529D+01 -0.116911D+01  0.249918D+01  0.316511D+01
      2   0.134408D+01 -0.116911D+01  0.194331D+01 -0.267875D+01  0.145951D+01
      3  -0.308346D+01  0.249918D+01 -0.267875D+01  0.649403D+01 -0.146057D+01
               146           147           148           149           150 
      1   0.145951D+01 -0.146057D+01  0.185426D+01  0.116915D+01 -0.143827D+01
      2   0.127264D+01 -0.831564D+00  0.116915D+01  0.139269D+01 -0.128456D+01
      3  -0.831564D+00  0.127131D+01 -0.143827D+01 -0.128456D+01  0.200939D+01
               151           152           153           154           155 
      1  -0.206828D+01 -0.128581D+01  0.175103D+01 -0.173778D+01  0.579966D+00
      2  -0.128581D+01 -0.195400D+01  0.181547D+01  0.579966D+00 -0.283297D+00
      3   0.175103D+01  0.181547D+01 -0.321337D+01 -0.182843D+01  0.455923D+00
               156           157           158           159           160 
      1  -0.182843D+01  0.357218D+00 -0.281448D+00  0.651463D+00 -0.229588D+01
      2   0.455923D+00 -0.281448D+00  0.833448D+00 -0.107150D+01  0.103632D+01
      3  -0.213482D+01  0.651463D+00 -0.107150D+01  0.280097D+01 -0.244292D+01
               161           162           163           164           165 
      1   0.103632D+01 -0.244292D+01 -0.314498D+01 -0.161349D+01  0.212135D+00
      2  -0.151831D+01  0.214859D+01 -0.161349D+01 -0.161554D+01 -0.238894D+00
      3   0.214859D+01 -0.641445D+01  0.212135D+00 -0.238894D+00 -0.241832D+00
               166           167           168           169           170 
      1  -0.432553D+01 -0.307718D+01 -0.444112D+00  0.365637D+01  0.299675D+00
      2  -0.307718D+01 -0.812176D+01 -0.400517D+00  0.299675D+00  0.100075D+01
      3  -0.444112D+00 -0.400517D+00 -0.775232D+00 -0.513692D+00 -0.830362D+00
               171           172           173           174           175 
      1  -0.513692D+00 -0.113645D+01  0.316901D+00 -0.123757D+01  0.227280D+01
      2  -0.830362D+00  0.316901D+00 -0.480890D+00 -0.191691D+00 -0.714083D+00
      3  -0.253220D+00 -0.123757D+01 -0.191691D+00 -0.119869D+01  0.255748D+00
               176           177           178           179           180 
      1  -0.714083D+00  0.255748D+00 -0.301067D+01 -0.176784D+00 -0.203911D+01
      2  -0.313877D+00 -0.721847D+00 -0.176784D+00 -0.100964D+01 -0.707767D+00
      3  -0.721847D+00  0.743739D+00 -0.203911D+01 -0.707767D+00 -0.677123D+01
               181           182           183           184           185 
      1   0.100697D+01 -0.986486D+00  0.107170D+01 -0.191232D+01  0.362086D+00
      2  -0.986486D+00  0.415064D+00  0.662187D-01  0.362086D+00  0.194623D-01
      3   0.107170D+01  0.662187D-01  0.755158D+00 -0.825312D-01  0.921520D+00
               186           187           188           189           190 
      1  -0.825312D-01  0.192652D+01  0.195573D-01  0.313410D+00 -0.878086D+00
      2   0.921520D+00  0.195573D-01  0.126581D+01 -0.785625D+00 -0.124959D+01
      3  -0.845494D+00  0.313410D+00 -0.785625D+00  0.700903D+01  0.474905D+00
               191           192           193           194           195 
      1  -0.124959D+01  0.474905D+00 -0.334558D+01 -0.328852D+01  0.343037D+00
      2  -0.131131D+01  0.156944D+00 -0.328852D+01 -0.787618D+01  0.108930D+01
      3   0.156944D+00 -0.445211D+00  0.343037D+00  0.108930D+01 -0.114270D+01
               196           197           198           199           200 
      1   0.116248D+01  0.462728D+00 -0.101842D+01 -0.157659D+01  0.339399D+00
      2   0.462728D+00  0.145958D+01 -0.960639D+00  0.339399D+00 -0.390004D+00
      3  -0.101842D+01 -0.960639D+00  0.274431D+00 -0.129737D+01 -0.197749D-01
               201           202           203           204           205 
      1  -0.129737D+01  0.110836D+01 -0.852746D+00  0.243195D+00 -0.387516D+01
      2  -0.197749D-01 -0.852746D+00 -0.211188D+00 -0.625613D+00 -0.241963D+00
      3  -0.146553D+01  0.243195D+00 -0.625613D+00  0.728350D+00 -0.324770D+01
               206           207           208           209           210 
      1  -0.241963D+00 -0.324770D+01 -0.702443D+01  0.203500D+01  0.236052D+01
      2  -0.114318D+01  0.167612D+00  0.203500D+01 -0.145808D+01 -0.737667D+00
      3   0.167612D+00 -0.645807D+01  0.236052D+01 -0.737667D+00 -0.174273D+01
               211           212           213           214           215 
      1   0.496134D+01 -0.221521D+01 -0.122965D+01  0.481925D+01 -0.979185D+00
      2  -0.221521D+01  0.140775D+01  0.111488D+01 -0.979185D+00  0.143664D+01
      3  -0.122965D+01  0.111488D+01  0.132382D+01 -0.267926D+01  0.969112D+00
               216           217           218           219           220 
      1  -0.267926D+01 -0.415619D+01  0.313127D+01  0.170632D+01  0.262525D+01
      2   0.969112D+00  0.313127D+01 -0.326782D+01 -0.111611D+01 -0.288507D+01
      3   0.172494D+01  0.170632D+01 -0.111611D+01 -0.144447D+01 -0.112299D+01
               221           222           223           224           225 
      1  -0.288507D+01 -0.112299D+01  0.282189D+01 -0.179320D+01 -0.184580D+01
      2   0.388694D+01  0.167632D+01 -0.179320D+01  0.283677D+01  0.194067D+01
      3   0.167632D+01  0.139384D+01 -0.184580D+01  0.194067D+01  0.167322D+01
               226           227           228           229           230 
      1  -0.505459D+00  0.863477D+00 -0.782266D+00  0.697662D+00 -0.572019D+00
      2   0.863477D+00 -0.757729D+00  0.253191D+00 -0.572019D+00  0.105477D+01
      3  -0.782266D+00  0.253191D+00 -0.103898D+01  0.200474D+00 -0.103576D+01
               231           232           233           234           235 
      1   0.200474D+00 -0.175990D+01  0.665902D+00 -0.142336D+01  0.805961D+01
      2  -0.103576D+01  0.665902D+00 -0.243684D+01  0.224949D+01  0.114883D+01
      3   0.116217D+01 -0.142336D+01  0.224949D+01 -0.600654D+01  0.109459D+01
               236           237           238           239           240 
      1   0.114883D+01  0.109459D+01  0.957246D+00  0.144911D+01  0.194932D+00
      2   0.245001D+01  0.292064D+00  0.144911D+01  0.125788D+01  0.431023D+00
      3   0.292064D+00  0.745935D+00  0.194932D+00  0.431023D+00  0.637896D+00
               241           242           243           244           245 
      1   0.107836D+01  0.301219D+00  0.400920D+00 -0.243263D+00 -0.110523D+01
      2   0.301219D+00  0.774613D+00  0.810231D+00 -0.110523D+01  0.564238D+00
      3   0.400920D+00  0.810231D+00  0.147500D+00  0.120590D+01 -0.220792D+00
               246           247           248           249           250 
      1   0.120590D+01 -0.193010D+01  0.940664D+00 -0.422217D+00  0.210788D+01
      2  -0.220792D+00  0.940664D+00 -0.145555D+01  0.145849D+01 -0.235248D+00
      3   0.107686D+01 -0.422217D+00  0.145849D+01 -0.189798D+01  0.190642D+01
               251           252           253           254           255 
      1  -0.235248D+00  0.190642D+01 -0.729046D+01 -0.358350D+01 -0.382056D+01
      2   0.182444D+01 -0.148971D+01 -0.358350D+01  0.922369D+00  0.356109D+00
      3  -0.148971D+01  0.507394D+01 -0.382056D+01  0.356109D+00  0.166899D+01
               256           257           258           259           260 
      1   0.136110D+01  0.344424D+01  0.115905D+01 -0.348213D+01  0.536547D+00
      2   0.344424D+01  0.370124D+01  0.218146D+01  0.536547D+00  0.139191D+01
      3   0.115905D+01  0.218146D+01 -0.184847D+01  0.187956D+01 -0.295740D+01
               261           262           263           264           265 
      1   0.187956D+01  0.374380D+01 -0.262029D+01 -0.176714D+01 -0.166116D+01
      2  -0.295740D+01 -0.262029D+01  0.238555D+01  0.121162D+01  0.183489D+01
      3   0.970250D-01 -0.176714D+01  0.121162D+01  0.159730D+01  0.933379D+00
               266           267           268           269           270 
      1   0.183489D+01  0.933379D+00 -0.355189D+01  0.273277D+01  0.276948D+01
      2  -0.287019D+01 -0.108738D+01  0.273277D+01 -0.314280D+01 -0.236239D+01
      3  -0.108738D+01 -0.120673D+01  0.276948D+01 -0.236239D+01 -0.296385D+01
               271           272           273           274           275 
      1  -0.150468D+01  0.111201D+01  0.161634D+01  0.569086D+00 -0.857338D+00
      2   0.111201D+01 -0.207683D+01 -0.138008D+01 -0.857338D+00  0.172721D+01
      3   0.161634D+01 -0.138008D+01 -0.220570D+01 -0.528986D+00  0.126640D+01
               276           277           278           279           280 
      1  -0.528986D+00  0.201411D+01 -0.448455D+00 -0.109073D+01  0.305576D+00
      2   0.126640D+01 -0.448455D+00  0.228015D+01  0.251644D+01  0.686563D+00
      3   0.153634D+01 -0.109073D+01  0.251644D+01  0.412656D+01 -0.318882D+00
               281           282           283           284           285 
      1   0.686563D+00 -0.318882D+00  0.841318D+00 -0.355448D-01 -0.932584D-01
      2  -0.694335D+00  0.676140D-01 -0.355448D-01  0.296824D+01 -0.159339D+01
      3   0.676140D-01 -0.450518D+00 -0.932584D-01 -0.159339D+01  0.166683D+01
               286           287           288           289           290 
      1  -0.154127D+01 -0.516589D+00 -0.382437D+00  0.115335D+02  0.401284D+01
      2  -0.516589D+00 -0.334329D+01  0.158636D+01  0.401284D+01  0.286430D+01
      3  -0.382437D+00  0.158636D+01 -0.283792D+01  0.313491D+01  0.124945D+01
               291           292           293           294           295 
      1   0.313491D+01  0.188947D+01  0.167149D+01  0.517051D+00  0.275162D+01
      2   0.124945D+01  0.167149D+01  0.108473D+01  0.443510D+00  0.100426D+01
      3   0.177672D+01  0.517051D+00  0.443510D+00  0.476893D+00  0.179004D+01
               296           297 
      1   0.100426D+01  0.179004D+01
      2   0.754441D+00  0.112225D+01
      3   0.112225D+01  0.134679D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.234885D+01 -0.189112D+00 -0.190880D+01 -0.692433D+01 -0.130219D+01
      2   0.196066D+01 -0.202782D+01  0.229085D+01 -0.580812D+01  0.144003D+01
      3  -0.716005D+01 -0.329070D+01 -0.435579D-01  0.100849D+02 -0.109520D+01
                 6             7             8             9            10 
      1  -0.354391D+01 -0.440966D+01  0.221892D+01 -0.770072D+00 -0.114840D+01
      2  -0.154426D+01 -0.490715D+01 -0.148674D+01  0.716339D-01  0.378112D+01
      3   0.356953D+01 -0.362449D+01 -0.160934D+01  0.355618D+01  0.132615D+02
                11            12            13            14            15 
      1  -0.170718D+01  0.146838D+01 -0.502992D+01  0.437663D+01 -0.695678D+01
      2   0.119453D+01 -0.318866D+01  0.752425D+01  0.310197D+01 -0.267153D+01
      3   0.158167D+01  0.729315D+00  0.140273D+02  0.129685D+01  0.448905D+00
                16            17            18            19            20 
      1   0.700216D+01  0.104960D+01 -0.505395D+01 -0.193160D+01  0.983372D+00
      2  -0.211568D+02 -0.204980D+01  0.109361D+01  0.182626D+01 -0.228692D+01
      3  -0.438710D+01  0.111231D+01 -0.124945D+01  0.251375D+01 -0.957574D+00
                21            22            23            24            25 
      1  -0.145664D+01  0.413135D+01  0.126161D+01  0.300939D+00  0.308904D+01
      2   0.838540D+01  0.187720D+01 -0.307019D+01  0.382175D+01 -0.833759D+01
      3   0.329149D+01  0.133614D+02  0.342425D+01  0.409896D+00  0.237760D+01
                26            27            28            29            30 
      1   0.280729D+01  0.368165D+01  0.117103D+01 -0.201108D+01  0.454635D+01
      2  -0.519087D-01 -0.440957D+00 -0.404836D+01  0.668666D+00 -0.325725D+01
      3   0.216182D+00 -0.233152D+01 -0.121425D+02 -0.155542D+01 -0.243261D+01
                31            32            33            34            35 
      1  -0.158005D+01  0.502481D+01 -0.582103D+01  0.870414D+01  0.281558D+01
      2   0.746127D+01  0.278487D+01 -0.418708D+01 -0.200214D+02 -0.623621D+01
      3   0.127507D+02  0.849328D+00 -0.145630D+01 -0.997245D+01 -0.757480D+00
                36            37            38            39            40 
      1  -0.384466D+01  0.726361D+00 -0.862248D+00  0.412651D+00 -0.513743D+01
      2  -0.324551D+01  0.675907D+01 -0.101982D+01  0.299957D+01 -0.719598D+01
      3  -0.152193D+01  0.237056D+01 -0.169324D+01  0.259899D+01  0.883864D+01
                41            42            43            44            45 
      1  -0.259484D+01 -0.346325D+01 -0.424402D+01  0.107837D+01 -0.265460D+01
      2   0.138390D+01 -0.235400D+01 -0.166160D+00 -0.189680D+00  0.355226D+00
      3  -0.700097D+00  0.266141D+01  0.887766D+01  0.724509D+00  0.486774D+01
                46            47            48            49            50 
      1  -0.458392D+00  0.236409D+01 -0.160927D+01  0.608187D+01  0.802840D+00
      2  -0.275238D+01 -0.366209D+01  0.833573D+01 -0.536876D+01 -0.372850D+01
      3  -0.113651D+02 -0.338319D+01  0.235542D+01  0.673468D+01  0.174468D+01
                51            52            53            54            55 
      1  -0.174327D+01  0.258963D+01  0.226894D+01  0.601190D+00 -0.163353D+01
      2   0.524609D+01 -0.479594D+01  0.551874D+00 -0.122306D+01  0.517547D+01
      3  -0.732482D+00  0.896598D+01  0.122050D+01 -0.189255D+01 -0.155517D+02
                56            57            58            59            60 
      1   0.545075D+00 -0.837248D-01 -0.115259D-01 -0.597694D+01 -0.264452D+01
      2  -0.148440D+01  0.899452D+00 -0.366996D+01  0.578467D+01  0.322459D+01
      3   0.516621D+01  0.166481D+01  0.272265D+02  0.124354D+02 -0.149338D+01
                61            62            63            64            65 
      1   0.972316D+00  0.203915D+01  0.609473D+01  0.199382D+01 -0.534485D+00
      2  -0.190287D+02  0.276491D+01 -0.200697D+02 -0.100674D+02  0.199539D+01
      3   0.915636D+01 -0.569675D+01 -0.472950D+01  0.242749D+02 -0.121220D+02
                66            67            68            69            70 
      1   0.676153D+00  0.110257D+01 -0.810580D+00 -0.249132D+01 -0.128605D+01
      2   0.107130D+02  0.408316D+01 -0.446436D+01 -0.608680D+01  0.980961D+01
      3  -0.202490D+01 -0.116224D+02 -0.165531D+02  0.264324D+01 -0.845852D+01
                71            72            73            74            75 
      1   0.398985D+01  0.139506D+01 -0.937292D+00 -0.226234D+00  0.110131D+01
      2  -0.828056D+01  0.319527D+02  0.132847D+02 -0.367822D+01 -0.136531D+02
      3   0.534186D+01  0.827446D+01 -0.181888D+02  0.107444D+02  0.492812D+01
                76            77            78            79            80 
      1  -0.985263D+00 -0.164349D+01 -0.194976D+01  0.206528D+01  0.136767D+01
      2  -0.508230D+01  0.127626D+02  0.790098D+01 -0.276046D+02  0.655074D+01
      3   0.260081D+02  0.309086D+02 -0.121480D+02  0.641803D+01 -0.130302D+02
                81            82            83            84            85 
      1   0.195241D+01  0.477953D+01 -0.163347D+01 -0.386976D+01 -0.195290D+01
      2  -0.270082D+02  0.993046D+01 -0.406546D+01 -0.506524D+01 -0.438117D+01
      3  -0.942664D+01 -0.259759D+02 -0.370977D+01 -0.155567D+01  0.100667D+01
                86            87            88            89            90 
      1   0.496479D+01  0.312738D+01 -0.585306D+01  0.893075D+01 -0.876507D+01
      2   0.508559D+01  0.851051D+01 -0.123947D+02  0.110809D+02 -0.176675D+02
      3   0.132454D+02 -0.338581D+01 -0.139954D+01 -0.609358D+01 -0.793887D+01
                91            92            93            94            95 
      1  -0.136188D+01 -0.187255D+01  0.742462D+00 -0.410406D+01 -0.180029D+01
      2   0.773871D+01 -0.154638D+01  0.716222D+00 -0.875622D+01 -0.431133D+01
      3  -0.572132D+01  0.118607D+01  0.166910D+01  0.226876D+02  0.100574D+02
                96            97            98            99           100 
      1  -0.653386D+01  0.338205D+01  0.178708D+01  0.378339D+01  0.194275D+01
      2   0.832402D+01 -0.224194D+02  0.936348D+01 -0.459593D+01 -0.149576D+02
      3   0.797358D+01  0.862866D+01  0.475230D+01 -0.967712D+01  0.149614D+02
               101           102           103           104           105 
      1   0.670984D+01 -0.890619D+00  0.307422D+01  0.544752D+01  0.157363D+01
      2   0.586967D+01  0.389742D+01  0.982796D+01  0.109149D+01 -0.956712D+01
      3  -0.413745D+01 -0.441214D+01 -0.317383D+00 -0.346849D+01 -0.398488D+01
               106           107           108           109           110 
      1  -0.290189D+01  0.714058D+00 -0.291973D+01 -0.168946D+01 -0.435448D+01
      2  -0.703704D+01 -0.854186D+01  0.187620D+02 -0.522837D+01 -0.312182D+01
      3  -0.138998D+01 -0.127411D+02  0.778812D+01 -0.954422D+01 -0.867350D+01
               111           112           113           114           115 
      1  -0.951005D+00 -0.990647D+00 -0.566102D+01 -0.268874D+01 -0.149413D+00
      2   0.844813D+01 -0.676577D+01 -0.856544D+01  0.109329D+02  0.103119D+02
      3   0.341360D+01 -0.167403D+01 -0.166735D+02  0.759480D+01 -0.337442D+01
               116           117           118           119           120 
      1   0.797383D+01  0.554573D+00  0.302479D+01 -0.154101D+01 -0.674248D+00
      2   0.977078D+01 -0.309102D+02  0.980655D+01 -0.675917D+01 -0.303101D+01
      3   0.155691D+02 -0.848346D+01 -0.590543D+00  0.250793D+01  0.353621D+01
               121           122           123           124           125 
      1   0.111950D+01  0.149351D+01 -0.603962D+01 -0.324446D+01  0.287335D+01
      2  -0.223699D+01  0.523619D+01  0.520481D+00 -0.698310D+01  0.245686D+01
      3   0.302002D+01  0.183618D+02 -0.471833D+01  0.722267D+01 -0.928435D+01
               126           127           128           129           130 
      1   0.583321D+01  0.211431D+00 -0.186327D+01 -0.918127D+00  0.924117D+00
      2   0.113111D+02  0.503399D+01  0.118888D+01 -0.129923D-01  0.180073D+01
      3   0.168484D+00  0.426299D+01 -0.446002D+00 -0.923141D+00  0.389375D+01
               131           132           133           134           135 
      1  -0.276020D+00 -0.319024D+01 -0.545834D+00  0.190472D+01  0.173759D+01
      2   0.417758D+00  0.493935D+00 -0.268374D+01  0.931929D-02 -0.158236D+01
      3  -0.102176D+01 -0.625171D+00 -0.162695D+01  0.163426D+01 -0.607986D-02
               136           137           138           139           140 
      1   0.138414D+01  0.104259D+01  0.218811D+01 -0.478191D+00 -0.757200D+00
      2  -0.338691D+01  0.298584D+00 -0.817821D+00  0.592650D+00  0.137399D+00
      3  -0.292648D+01 -0.319367D+00 -0.171432D+01  0.141687D+01  0.600715D+00
               141           142           143           144           145 
      1  -0.280564D+01  0.469267D+00  0.311764D+01  0.227509D+01 -0.124546D+01
      2  -0.116402D+01 -0.439668D+01  0.199361D+00  0.907207D+00  0.548812D+01
      3   0.511943D+00 -0.244390D+01 -0.761884D+00 -0.147648D+01  0.287184D+01
               146           147           148           149           150 
      1  -0.261841D+01 -0.298630D+00 -0.676345D+00 -0.118429D+01 -0.183782D+01
      2   0.147010D+01 -0.378345D+00  0.308043D+01  0.530322D+00  0.436377D+00
      3  -0.815158D+00 -0.495738D+00  0.265427D+01 -0.900987D+00 -0.202274D-01
               151           152           153           154           155 
      1   0.414075D+00  0.269867D+01  0.321050D+00 -0.343883D+00  0.136004D+01
      2  -0.258658D+01 -0.377559D+00 -0.117416D+01 -0.368840D+01  0.589281D+00
      3  -0.811796D+00  0.208160D+01 -0.282176D+00 -0.118166D+01 -0.401416D+00
               156           157           158           159           160 
      1   0.641777D+00  0.818395D-01 -0.129770D+01 -0.964315D+00 -0.137515D+01
      2  -0.533928D+00  0.472205D+00  0.294462D+00 -0.148929D+01 -0.478670D+01
      3  -0.346975D+00  0.892408D+00  0.556800D+00 -0.194283D+00 -0.724614D+00
               161           162           163           164           165 
      1   0.437996D+01 -0.121142D+01  0.109430D+01  0.928452D+00 -0.883284D+00
      2   0.185895D+00  0.171122D+01 -0.350248D+01 -0.523320D+00  0.197970D+01
      3  -0.142147D+01  0.136488D+00 -0.159421D+01 -0.461749D+01 -0.798224D+00
               166           167           168           169           170 
      1   0.143970D+01  0.532161D+01 -0.298325D+01 -0.878701D+00 -0.900785D+00
      2  -0.142511D+01 -0.211133D+01  0.272476D+01  0.155804D+01  0.250513D+01
      3  -0.220979D+01 -0.222584D+02 -0.120508D+01 -0.251090D+01  0.307224D+01
               171           172           173           174           175 
      1   0.196519D+00 -0.157301D+01  0.547682D+00 -0.949451D+00  0.194158D-01
      2   0.102596D+01  0.377273D+01  0.735524D+00  0.442913D+01  0.111531D+01
      3  -0.155320D+01  0.277863D+01 -0.264177D+01  0.689116D+00 -0.214372D+01
               176           177           178           179           180 
      1  -0.676354D+00  0.179072D+00 -0.176073D+01  0.294516D+01 -0.702453D+01
      2   0.145309D+01 -0.272421D+01  0.568349D+00  0.190795D+01  0.205061D+02
      3  -0.345735D+00 -0.219762D+01  0.207899D+01 -0.350260D+01  0.793564D+00
               181           182           183           184           185 
      1  -0.150308D+01  0.824102D+00 -0.123560D+00  0.367424D+00 -0.229022D+00
      2  -0.724570D+01  0.529543D+00 -0.357881D+01  0.204183D+01 -0.426799D+01
      3  -0.463897D+01  0.136642D+01 -0.145515D+00  0.394677D+01  0.217214D-02
               186           187           188           189           190 
      1  -0.479617D+00 -0.700915D+00  0.328353D+01 -0.103270D+01  0.123595D+00
      2   0.399230D+01 -0.688641D+01  0.378502D+01 -0.297168D+02 -0.273637D+01
      3   0.386049D+01 -0.539821D+00  0.492615D+01 -0.348331D+01 -0.661031D+01
               191           192           193           194           195 
      1   0.691570D-01 -0.579385D+00  0.254543D+00  0.309275D+00 -0.325000D+01
      2  -0.799978D+00  0.299240D+01 -0.161816D+01 -0.664148D+01  0.725411D+01
      3  -0.765525D+01  0.558550D+00 -0.124873D+02 -0.426499D+02  0.603248D+01
               196           197           198           199           200 
      1  -0.520650D+00  0.377130D+00  0.435834D+00 -0.658322D+00  0.423534D+00
      2   0.416255D+01  0.518824D+01 -0.143308D+01  0.734992D+01  0.187932D+00
      3   0.149404D+01  0.814660D+01 -0.438176D+01  0.261054D+01 -0.320300D+01
               201           202           203           204           205 
      1  -0.813144D+00  0.144496D+00 -0.478211D+00 -0.438634D+00 -0.110020D+01
      2   0.928212D+01 -0.818034D+00  0.319772D+01 -0.419434D+01  0.141595D+02
      3   0.529822D+00 -0.369652D+01 -0.619007D+00 -0.323500D+01  0.442440D+00
               206           207           208           209           210 
      1   0.295482D+01 -0.266496D+01  0.855950D+00 -0.939300D+00 -0.137220D-01
      2  -0.128780D+01  0.368382D+02 -0.126808D+02  0.413686D+01  0.121792D+02
      3  -0.710021D+01  0.309359D+01  0.137374D+02 -0.115495D+02 -0.531493D+01
               211           212           213           214           215 
      1  -0.377790D+00  0.986080D+00 -0.596958D+00 -0.537559D+00  0.181663D+01
      2   0.625236D+01 -0.634062D+01 -0.856069D+01  0.133048D+02 -0.559913D+01
      3  -0.125624D+02  0.973887D+01  0.688103D+01 -0.685838D+01  0.966464D+01
               216           217           218           219           220 
      1   0.162494D+00 -0.353488D+01  0.161836D+01  0.437611D+01  0.267882D+01
      2  -0.101597D+02 -0.624297D+01  0.443697D+01  0.720241D+01  0.388404D+01
      3   0.663655D+01  0.461102D+01 -0.970468D+01 -0.136729D+01 -0.358158D+01
               221           222           223           224           225 
      1  -0.292789D+01 -0.439052D+01  0.388695D+01 -0.215265D+01 -0.373395D+01
      2  -0.648730D+01 -0.640893D+01  0.574913D+01 -0.756637D+01 -0.686052D+01
      3   0.111323D+02  0.435419D+01 -0.106568D+01  0.902483D+01  0.472959D+01
               226           227           228           229           230 
      1   0.151312D+01 -0.535333D-01  0.210852D+01 -0.466764D+00  0.161762D+01
      2   0.290364D+01 -0.938996D+00  0.431621D+01 -0.422596D+00  0.358778D+01
      3   0.332759D+01 -0.252419D+01 -0.295070D-01  0.233322D+00  0.301224D+01
               231           232           233           234           235 
      1  -0.360941D+01  0.249467D+01 -0.105830D+01  0.127018D+02 -0.109417D+01
      2  -0.411122D+01  0.163026D+01 -0.820424D+01  0.227864D+02 -0.395258D+01
      3  -0.347374D+01 -0.126374D+01 -0.940335D+01  0.726207D+01  0.252817D+02
               236           237           238           239           240 
      1  -0.321737D+00 -0.243703D+01 -0.121290D+00 -0.812393D+00 -0.185030D+01
      2  -0.899988D+00 -0.136036D+01 -0.559737D+00 -0.163181D+01 -0.122679D+01
      3   0.978188D+01  0.340616D+01  0.101392D+02  0.635762D+01  0.224709D+01
               241           242           243           244           245 
      1  -0.197742D+01 -0.461923D-01 -0.982699D-01 -0.183761D+01  0.853591D+00
      2  -0.408177D+01 -0.241686D+01 -0.327123D+00  0.439524D+01  0.467258D+00
      3   0.306967D+01  0.331340D+01  0.395003D+01  0.388395D+01 -0.232961D+01
               246           247           248           249           250 
      1  -0.638328D+00  0.664349D+00 -0.283028D+01  0.638815D+00 -0.996608D+00
      2   0.320432D+01  0.149320D+01  0.399540D+01 -0.562208D+01  0.151856D+01
      3   0.110385D+01 -0.506269D+00  0.457894D+01 -0.467610D+01  0.149303D+00
               251           252           253           254           255 
      1   0.429394D+01 -0.242155D+01  0.343710D+01  0.122133D+01 -0.462947D+01
      2  -0.489427D+01  0.137841D+02 -0.531999D+01  0.421072D+01  0.119490D+02
      3  -0.607779D+01  0.547013D+01 -0.334415D+01 -0.133772D+02 -0.895344D+01
               256           257           258           259           260 
      1   0.283069D+01 -0.295710D+00  0.686214D+01 -0.255057D+01  0.121242D+02
      2   0.275398D+01  0.433943D+01 -0.874620D+01  0.852522D+01 -0.108984D+02
      3  -0.136316D+02 -0.858633D+01 -0.683258D+01 -0.785222D+01 -0.447420D+01
               261           262           263           264           265 
      1  -0.375444D+01 -0.244647D+01  0.101435D+01  0.278961D+01  0.196834D+01
      2  -0.887865D+00 -0.591216D+01  0.501507D+01  0.638665D+01  0.333414D+01
      3   0.136478D+02  0.501503D+01 -0.728006D+01 -0.228363D+01 -0.370683D+01
               266           267           268           269           270 
      1  -0.177335D+01 -0.235846D+01  0.334919D+01 -0.159495D+01 -0.451460D+01
      2  -0.453760D+01 -0.515371D+01  0.911746D+01 -0.911784D+01 -0.125054D+02
      3   0.877801D+01  0.294404D+01 -0.590708D+01  0.102558D+02  0.639967D+01
               271           272           273           274           275 
      1  -0.234778D+01 -0.105126D+01  0.387669D+01 -0.473608D+00 -0.486270D+00
      2   0.829851D+01 -0.495673D+01 -0.781712D+01 -0.235642D+01  0.505922D+01
      3  -0.832653D+01  0.720911D+01  0.736288D+01  0.546285D+01 -0.657303D+01
               276           277           278           279           280 
      1  -0.293903D+01  0.255691D+01 -0.483861D+00 -0.573813D+01  0.241735D+01
      2   0.511896D+01 -0.785327D+01  0.794213D+01  0.131437D+02 -0.199866D+01
      3  -0.521618D+01  0.628600D+01 -0.758573D+01 -0.107716D+02 -0.319135D+01
               281           282           283           284           285 
      1  -0.618566D+00  0.190545D+01 -0.140646D-01  0.650122D+01 -0.691407D+01
      2  -0.284675D+00 -0.132238D+01 -0.900832D+00 -0.506786D+01  0.520765D+01
      3   0.265999D+01 -0.137780D+01  0.285381D+01 -0.934305D+01  0.524243D+01
               286           287           288           289           290 
      1   0.142934D+01 -0.506515D+01  0.108131D+02 -0.127884D+01  0.189235D+01
      2  -0.276419D+01  0.541045D+01 -0.911997D+01 -0.208021D+01  0.223760D+00
      3  -0.301622D+01  0.991364D+01 -0.669765D+01  0.730973D+01 -0.581213D+01
               291           292           293           294           295 
      1  -0.310537D+01  0.737047D+00  0.543556D+00 -0.191069D+01 -0.239092D+01
      2   0.512325D+01 -0.228549D+00 -0.458045D+00  0.210288D+01  0.198529D+01
      3   0.121744D+01 -0.608667D+00 -0.131157D+01 -0.736146D-01  0.206037D+01
               296           297 
      1  -0.512979D+00 -0.117251D+01
      2   0.254484D+01  0.297266D+01
      3  -0.142980D+01 -0.871205D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.860449D+01 -0.110975D+02  0.201434D+02  0.130482D+02 -0.137216D+02
      2  -0.313194D+01  0.227873D+01 -0.283230D+01  0.215762D+00  0.214266D+02
      3   0.117364D+02  0.881878D+01 -0.173111D+02 -0.132640D+02 -0.770501D+01
      4  -0.981786D+01 -0.602793D+01  0.819116D+01  0.180691D+01  0.134059D+01
      5   0.906948D+01  0.594076D+01  0.364084D+01  0.836434D+01  0.230869D+01
      6   0.510329D+01 -0.256483D+01  0.405524D+01  0.595404D+01 -0.453042D-01
                 6             7             8             9            10 
      1   0.284438D+01 -0.346060D+02 -0.147674D+02  0.795005D+01  0.548202D+02
      2  -0.522297D+01  0.113259D+02  0.833571D+01 -0.916674D+01 -0.211587D+02
      3   0.237859D+01  0.232801D+02  0.643172D+01  0.121669D+01 -0.336614D+02
      4   0.297594D+01 -0.442271D+01  0.844156D+00 -0.492980D+01  0.498023D+00
      5  -0.756814D+01  0.754321D+01 -0.638830D+01  0.295002D+01  0.330216D+01
      6   0.650965D+00 -0.105103D+02 -0.708035D+01  0.743246D+01  0.252645D+01
                11            12            13            14            15 
      1   0.606918D+00  0.511645D+01 -0.655657D+01 -0.567387D+01  0.932080D+01
      2   0.136330D+01 -0.510858D+01  0.387934D+01  0.646600D+01 -0.354395D+01
      3  -0.197022D+01 -0.786875D-02  0.267723D+01 -0.792131D+00 -0.577685D+01
      4   0.269330D+01 -0.420668D+01  0.814466D+01  0.247575D+01  0.139717D+01
      5  -0.416348D+01  0.436102D+01  0.134427D+02  0.426339D+00  0.231913D+01
      6  -0.173420D+01  0.272515D+01  0.482951D+01  0.368710D+01  0.109404D+02
                16            17            18            19            20 
      1   0.821306D+01  0.119579D+02 -0.157042D+02  0.123475D+02  0.182048D+02
      2   0.374136D+01  0.329826D+01  0.402578D+01  0.282123D+01 -0.121862D+02
      3  -0.119544D+02 -0.152561D+02  0.116784D+02 -0.151687D+02 -0.601864D+01
      4   0.197012D+02  0.203918D+01 -0.103377D+01  0.402147D+01  0.348780D+01
      5  -0.929587D+01 -0.890841D-01  0.224112D+01 -0.140734D+02  0.216359D+01
      6   0.428135D+01  0.669663D+01 -0.440788D+01 -0.240614D+01  0.471871D+01
                21            22            23            24            25 
      1  -0.178201D+02 -0.977852D+01 -0.269616D+01 -0.164030D+02  0.146965D+02
      2   0.122762D+02  0.211794D+01  0.100120D+02 -0.576604D+01 -0.484388D+01
      3   0.554392D+01  0.766059D+01 -0.731583D+01  0.221691D+02 -0.985258D+01
      4   0.313557D+00  0.118420D+02 -0.655267D+01 -0.514324D+00  0.205292D+01
      5  -0.107259D+02 -0.305358D+01 -0.575082D+00 -0.495522D+00  0.772240D+01
      6  -0.706779D+01 -0.359360D+01 -0.245514D+01  0.746807D+00  0.121223D+02
                26            27            28            29            30 
      1  -0.698519D+01  0.190779D+01  0.107197D+02  0.316434D+01  0.650521D+00
      2  -0.727679D+00 -0.286208D+01 -0.217980D+01 -0.210430D+01 -0.295352D+01
      3   0.771287D+01  0.954287D+00 -0.853989D+01 -0.106004D+01  0.230300D+01
      4  -0.299674D+01  0.795601D+01  0.262605D+01  0.466802D+01 -0.206526D+01
      5   0.766803D+01 -0.559525D+01  0.679545D+01 -0.155242D+01  0.599173D+01
      6   0.102189D+01  0.117168D+02  0.719842D+01  0.281849D+01 -0.903887D+00
                31            32            33            34            35 
      1  -0.113992D+02 -0.804483D+01  0.107296D+02  0.224948D+00  0.134627D+02
      2  -0.927901D+00  0.356405D+01 -0.425862D+01  0.581793D+01  0.178081D+01
      3   0.123271D+02  0.448078D+01 -0.647097D+01 -0.604288D+01 -0.152435D+02
      4   0.860426D+01  0.285697D+01  0.290353D+01  0.214508D+02  0.349739D+01
      5   0.180895D+02  0.400823D+01  0.195423D+01 -0.633194D+01 -0.303723D+01
      6   0.375059D+01  0.457567D+01  0.990978D+01  0.245357D+01  0.660424D+01
                36            37            38            39            40 
      1  -0.173496D+02  0.249218D+01 -0.916688D+01  0.220895D+02  0.106936D+02
      2   0.446529D+01 -0.834219D+01  0.185806D+01 -0.488735D+01  0.142903D+01
      3   0.128843D+02  0.585002D+01  0.730882D+01 -0.172022D+02 -0.121227D+02
      4  -0.307098D+01 -0.126283D+02 -0.552422D+01  0.573320D+01  0.499585D+01
      5  -0.206913D+01  0.101609D+02  0.354196D+01  0.418952D+01  0.456212D+01
      6  -0.583163D+01  0.371670D+01 -0.315464D+01 -0.639818D+00  0.304170D+01
                41            42            43            44            45 
      1  -0.581603D+01 -0.244180D+00 -0.202783D+02 -0.123502D+02  0.108064D+02
      2   0.120837D+02 -0.194780D+01  0.334306D+01  0.414855D+01 -0.830364D+01
      3  -0.626764D+01  0.219198D+01  0.169353D+02  0.820162D+01 -0.250278D+01
      4   0.874365D+00  0.629876D+00 -0.756621D+01 -0.353917D+01 -0.570471D+01
      5   0.187729D+01 -0.851598D+01  0.943943D+01 -0.516429D+01  0.184990D+01
      6   0.224668D+01  0.189471D+01 -0.125675D+02 -0.492377D+01  0.751597D+01
                46            47            48            49            50 
      1  -0.456307D+01  0.119524D+02 -0.156386D+02 -0.204588D+02  0.205759D+01
      2   0.101521D+02 -0.604914D+01  0.956512D+01  0.738116D+01  0.395777D+01
      3  -0.558903D+01 -0.590328D+01  0.607350D+01  0.130777D+02 -0.601536D+01
      4   0.841914D+01  0.716669D+01 -0.124180D+01  0.129712D+02 -0.451158D+01
      5  -0.141085D+02  0.105097D+01 -0.899466D+01 -0.804113D+01 -0.329264D+00
      6   0.367478D+00  0.296972D+01 -0.601279D+01 -0.278286D+01  0.224027D+01
                51            52            53            54            55 
      1  -0.222212D+02  0.220866D+02 -0.607826D+01  0.922385D+00 -0.544853D+02
      2   0.107344D+00 -0.639786D+01 -0.643496D+00  0.238084D+00  0.204320D+02
      3   0.221139D+02 -0.156887D+02  0.672176D+01 -0.116047D+01  0.340533D+02
      4   0.492448D-01  0.212655D+01 -0.181298D+01  0.532151D+01  0.936285D+01
      5   0.534020D+00  0.559592D+01  0.510583D+01 -0.524913D+01  0.653984D+01
      6   0.408062D+01  0.879110D+01  0.238881D+01  0.148907D+02  0.952963D+00
                56            57            58            59            60 
      1   0.122584D+02  0.552901D+01  0.400447D+02 -0.106934D+02 -0.583285D+01
      2  -0.847179D+01 -0.796330D+00 -0.294744D+02 -0.112675D+02  0.127014D+01
      3  -0.378665D+01 -0.473268D+01 -0.105703D+02  0.219608D+02  0.456271D+01
      4  -0.150291D+02 -0.222927D+01 -0.331737D+02 -0.391766D+02  0.210234D+01
      5  -0.228322D+01 -0.674987D+01 -0.592931D+01  0.340325D+01  0.537250D+01
      6  -0.170648D+01 -0.100585D+01 -0.378998D+01 -0.167784D+01  0.138831D+01
                61            62            63            64            65 
      1   0.375045D+02 -0.796789D+01 -0.138469D+01 -0.187654D+02 -0.338636D+02
      2  -0.110607D+02  0.556914D+01  0.129870D+02  0.149248D+02  0.144038D+02
      3  -0.264438D+02  0.239875D+01 -0.116023D+02  0.384064D+01  0.194598D+02
      4  -0.677649D+01  0.105707D+02  0.230875D+01 -0.363051D+02  0.147587D+02
      5  -0.187142D+02  0.252752D+01 -0.381263D+02 -0.132806D+02  0.349486D+01
      6  -0.198326D+01  0.442799D+00 -0.555978D+01  0.176364D+01  0.157795D+01
                66            67            68            69            70 
      1  -0.101494D+02 -0.706469D+02  0.265417D+02  0.176394D+00 -0.409987D+02
      2   0.724862D+01  0.360140D+02 -0.153347D+02 -0.289860D+00  0.173381D+02
      3   0.290074D+01  0.346328D+02 -0.112071D+02  0.113466D+00  0.236607D+02
      4   0.321680D+01  0.250129D+02  0.349403D+02 -0.525297D+01  0.552888D+01
      5   0.154409D+02  0.591816D+01 -0.643381D+01 -0.123117D+02  0.293575D+02
      6  -0.285983D-01 -0.100828D+01  0.248750D+01 -0.239034D+00 -0.116208D+01
                71            72            73            74            75 
      1   0.183398D+01  0.263118D+02  0.301268D+02  0.411363D+02  0.245079D+02
      2  -0.116832D+01 -0.602349D+01 -0.138517D+02 -0.233350D+02 -0.112477D+02
      3  -0.665662D+00 -0.202883D+02 -0.162751D+02 -0.178012D+02 -0.132602D+02
      4  -0.976522D+01 -0.130808D+02  0.417292D+02 -0.194210D+02 -0.743764D+01
      5  -0.126903D+02  0.558236D+02  0.269754D+02 -0.828450D+01 -0.301732D+02
      6   0.402202D+01  0.638325D+00 -0.175565D+00  0.124230D+01 -0.682146D-01
                76            77            78            79            80 
      1   0.570695D+02 -0.268322D+02 -0.118370D+02  0.393238D+02 -0.105769D+02
      2  -0.341878D+02  0.505483D+01  0.755315D+01 -0.162571D+02  0.724882D+01
      3  -0.228817D+02  0.217774D+02  0.428390D+01 -0.230666D+02  0.332805D+01
      4  -0.345842D+02 -0.582421D+02  0.228918D+02 -0.945362D+01  0.234979D+02
      5  -0.114952D+02  0.252036D+02  0.170710D+02 -0.478633D+02  0.141895D+02
      6   0.345876D+01  0.357626D+01 -0.571877D+00  0.314087D+00 -0.107786D+01
                81            82            83            84            85 
      1  -0.388819D+02  0.371061D+02  0.264325D+02  0.196312D+02  0.330037D+02
      2   0.258905D+02 -0.289186D+02 -0.803492D+01 -0.761240D+01 -0.124143D+02
      3   0.129914D+02 -0.818748D+01 -0.183975D+02 -0.120188D+02 -0.205894D+02
      4   0.143114D+02  0.237069D+02 -0.257357D+02 -0.133968D+02 -0.283852D+02
      5  -0.519396D+02  0.195567D+02 -0.950585D+01 -0.144210D+02 -0.899477D+01
      6  -0.268099D+01 -0.124081D+02  0.334481D+01  0.788914D+01  0.492174D+01
                86            87            88            89            90 
      1  -0.266074D+02 -0.332478D+01  0.264677D+02 -0.663790D+01 -0.942796D+01
      2   0.210199D+02 -0.373387D+01 -0.786119D+01 -0.333966D+01  0.366311D+01
      3   0.558752D+01  0.705865D+01 -0.186065D+02  0.997755D+01  0.576485D+01
      4  -0.136005D+02  0.120026D+02 -0.151204D+02  0.199848D+02  0.280693D+02
      5   0.116847D+02  0.181364D+02 -0.228313D+02  0.239814D+02 -0.353690D+02
      6  -0.898092D+01 -0.831196D+01  0.109481D+02 -0.121788D+02  0.162308D+02
                91            92            93            94            95 
      1   0.877849D+01  0.141647D+02  0.756683D+01  0.183719D+02 -0.181096D+01
      2  -0.482433D+01 -0.106894D+02 -0.103921D+01 -0.183444D+02 -0.340145D+01
      3  -0.395416D+01 -0.347539D+01 -0.652762D+01 -0.274510D-01  0.521241D+01
      4   0.103249D+02 -0.763982D+01 -0.209993D+01 -0.296327D+02 -0.202841D+02
      5   0.398497D+01 -0.231138D+01 -0.623777D+01 -0.151781D+02 -0.153799D+02
      6   0.105282D+01 -0.423721D+01 -0.156698D+01 -0.104483D+02 -0.856792D+01
                96            97            98            99           100 
      1  -0.664723D+01  0.223924D+02 -0.831271D+01 -0.856212D+01 -0.965768D+01
      2  -0.618769D+01 -0.837706D+01 -0.433433D+01  0.120766D+02  0.553798D+01
      3   0.128349D+02 -0.140154D+02  0.126470D+02 -0.351447D+01  0.411970D+01
      4  -0.147638D+02 -0.139248D+02 -0.681483D+01  0.182309D+02 -0.968721D+01
      5   0.135509D+02 -0.188975D+02  0.186589D+02 -0.153284D+02  0.145686D+02
      6  -0.749271D+01  0.153804D+01 -0.161137D+01  0.579256D+01  0.241783D+01
               101           102           103           104           105 
      1  -0.109204D+02  0.376360D+01 -0.192823D+02  0.193105D+01  0.191900D+02
      2   0.107298D+02 -0.748359D+01  0.198262D+02 -0.100564D+02 -0.181299D+02
      3   0.190631D+00  0.371999D+01 -0.543894D+00  0.812534D+01 -0.106010D+01
      4  -0.705665D+01  0.106089D+02 -0.762704D+01  0.664271D+01 -0.122650D+01
      5   0.112331D+02 -0.331639D+01  0.318023D+02 -0.965650D+00 -0.248409D+02
      6   0.392749D+01 -0.111405D+01 -0.164103D+01  0.418283D+01 -0.193797D+01
               106           107           108           109           110 
      1   0.249642D+02  0.139807D+02 -0.195917D+01  0.496773D+02  0.160729D+02
      2  -0.167246D+02 -0.867403D+01  0.100759D+02 -0.307805D+02 -0.977031D+01
      3  -0.823961D+01 -0.530670D+01 -0.811669D+01 -0.188967D+02 -0.630260D+01
      4   0.187647D+02  0.153102D+02 -0.212233D+02  0.196423D+02  0.204183D+02
      5  -0.123283D+02 -0.209130D+02  0.285705D+02 -0.355811D+02 -0.106848D+02
      6  -0.373306D+01 -0.441053D+01  0.402457D+01 -0.443588D+01 -0.429839D+01
               111           112           113           114           115 
      1  -0.241309D+02  0.313574D+02  0.664677D+01 -0.914207D+01 -0.427537D+02
      2   0.176666D+02 -0.178759D+02 -0.246068D+01  0.107150D+02  0.286873D+02
      3   0.646432D+01 -0.134815D+02 -0.418609D+01 -0.157290D+01  0.140664D+02
      4  -0.817441D+01  0.215840D+02  0.347741D+02 -0.163182D+02 -0.100569D+02
      5   0.239540D+02 -0.211523D+02 -0.168914D+02  0.243205D+02  0.433407D+02
      6   0.343944D+01 -0.493034D+01 -0.854317D+01  0.109741D+02  0.171921D+01
               116           117           118           119           120 
      1  -0.372829D+01  0.988231D+01  0.200135D+01 -0.557958D+01  0.148631D+02
      2   0.759993D+01 -0.292014D+02  0.127413D+01  0.186213D+01 -0.616890D+01
      3  -0.387164D+01  0.193191D+02 -0.327548D+01  0.371745D+01 -0.869418D+01
      4  -0.288503D+02  0.205241D+02  0.858547D+00 -0.326524D+01 -0.170574D+02
      5   0.202673D+02 -0.630753D+02  0.200181D+02 -0.135851D+02 -0.779363D+01
      6   0.125085D+02 -0.870643D+01 -0.829571D+01  0.675637D+01  0.423420D+01
               121           122           123           124           125 
      1  -0.108935D+02 -0.124792D+02 -0.124917D+02  0.285398D+02 -0.188938D+02
      2  -0.956453D+00  0.295259D+02  0.604609D+01 -0.100717D+02  0.417363D+01
      3   0.118500D+02 -0.170467D+02  0.644559D+01 -0.184681D+02  0.147202D+02
      4   0.153495D+02 -0.374503D+02  0.142499D+02 -0.321619D+02  0.306946D+02
      5  -0.160606D+02  0.158996D+02  0.342054D+01 -0.111954D+02  0.648525D+01
      6   0.600549D+01 -0.230620D+01  0.443068D+01  0.726556D+01  0.142601D+01
               126           127           128           129           130 
      1  -0.118121D+02  0.201535D+01 -0.360755D+01  0.188523D+01 -0.364768D+00
      2   0.518308D+01  0.303960D+00  0.516138D+01 -0.584534D+00  0.891086D+00
      3   0.662899D+01 -0.231931D+01 -0.155383D+01 -0.130070D+01 -0.526318D+00
      4   0.868144D+01  0.105374D+02  0.927954D+01 -0.686887D+01  0.835525D+01
      5   0.247973D+02 -0.123647D+02 -0.777480D+01  0.101074D+02 -0.992075D+01
      6  -0.989979D+01 -0.830941D+01 -0.750876D+01  0.759084D+01 -0.780125D+01
               131           132           133           134           135 
      1  -0.798568D+01  0.763605D+01  0.414619D+01  0.104649D+02 -0.123873D+02
      2   0.745860D+01 -0.267506D+01 -0.910235D+00 -0.686378D+01  0.181724D+01
      3   0.527079D+00 -0.496099D+01 -0.323595D+01 -0.360117D+01  0.105701D+02
      4   0.987067D+01 -0.697739D+01 -0.749375D+01 -0.764972D+01  0.796916D+01
      5  -0.846790D+01  0.100779D+02  0.108120D+02  0.905514D+01 -0.140899D+02
      6  -0.115050D+02  0.113082D+02  0.882837D+01  0.134962D+02 -0.152561D+02
               136           137           138           139           140 
      1  -0.274789D+01  0.193574D+01 -0.581352D+01  0.318984D+01 -0.735885D+01
      2  -0.321002D+01  0.227973D+00 -0.394037D+01  0.357062D+00  0.209279D+01
      3   0.595791D+01 -0.216371D+01  0.975389D+01 -0.354690D+01  0.526607D+01
      4  -0.470688D+01  0.388119D+01 -0.524031D+01  0.304145D+01 -0.331810D+01
      5   0.866666D+01 -0.371850D+01  0.109024D+02 -0.372870D+01  0.309058D+01
      6  -0.477184D+01  0.340494D+01 -0.514596D+01  0.351416D+01 -0.790386D+01
               141           142           143           144           145 
      1   0.123632D+02 -0.713232D+01  0.119135D+02 -0.267342D+02  0.220786D+01
      2   0.895018D+00 -0.209384D+01 -0.230312D+01 -0.611768D+01 -0.148848D+01
      3  -0.132582D+02  0.922616D+01 -0.961036D+01  0.328518D+02 -0.719386D+00
      4   0.405380D+01 -0.601052D+01  0.646265D+01 -0.931487D+01  0.504185D+01
      5  -0.459835D+01  0.102915D+02 -0.567332D+01  0.153098D+02 -0.885885D+01
      6   0.107951D+02 -0.753376D+01  0.129350D+02 -0.203138D+02 -0.368759D+01
               146           147           148           149           150 
      1  -0.156889D+01  0.134323D+01 -0.162689D+01 -0.510817D+01  0.577213D+01
      2   0.189430D+01  0.990048D+00  0.115811D+00  0.339013D+01 -0.362183D+00
      3  -0.325406D+00 -0.233327D+01  0.151108D+01  0.171803D+01 -0.540995D+01
      4   0.499809D+01 -0.291077D+01  0.473490D+01  0.541755D+01 -0.318889D+01
      5  -0.398828D+01  0.724565D+01 -0.659883D+01 -0.551555D+01  0.746987D+01
      6  -0.333071D+01  0.369904D+01 -0.396309D+01 -0.648578D+01  0.646897D+01
               151           152           153           154           155 
      1   0.262787D+01  0.659177D+01 -0.996155D+01 -0.870637D+00  0.282330D+00
      2   0.101782D+01 -0.306378D+01 -0.124437D+01 -0.411919D+01  0.111284D+01
      3  -0.364569D+01 -0.352798D+01  0.112059D+02  0.498982D+01 -0.139517D+01
      4  -0.433538D+01 -0.425388D+01  0.383303D+01 -0.336526D+01  0.274363D+01
      5   0.891358D+01  0.558747D+01 -0.113197D+02  0.738243D+01 -0.287935D+01
      6   0.514514D+01  0.781340D+01 -0.933742D+01 -0.195785D+01  0.211335D+01
               156           157           158           159           160 
      1  -0.386415D+01  0.266611D+01 -0.536962D+01  0.101155D+02 -0.253833D+01
      2  -0.485376D+01  0.269430D+00  0.670510D+00  0.223312D+01 -0.504114D+01
      3   0.871791D+01 -0.293554D+01  0.469911D+01 -0.123486D+02  0.757946D+01
      4  -0.322449D+01  0.241900D+01 -0.240119D+01  0.328690D+01 -0.472153D+01
      5   0.994773D+01 -0.288294D+01  0.295900D+01 -0.398312D+01  0.100991D+02
      6  -0.147682D+01  0.245090D+01 -0.498230D+01  0.610355D+01 -0.372921D+01
               161           162           163           164           165 
      1   0.695899D+01 -0.219372D+02  0.143109D+02  0.662508D+01 -0.209419D+01
      2   0.517894D+00 -0.998020D+01 -0.121129D+01  0.479793D+00  0.769026D+00
      3  -0.747688D+01  0.319174D+02 -0.130996D+02 -0.710487D+01  0.132516D+01
      4   0.498359D+01 -0.687581D+01  0.140738D+02  0.171487D+02  0.169348D+01
      5  -0.451231D+01  0.154198D+02 -0.160992D+01  0.215143D+01  0.345278D+01
      6   0.795728D+01 -0.109016D+02  0.761021D+00  0.159752D+01  0.876304D+00
               166           167           168           169           170 
      1   0.130353D+02 -0.105170D+02 -0.175840D+00 -0.152013D+02  0.749420D+00
      2   0.330111D+01  0.318128D+02  0.329528D+00  0.479207D+01 -0.338221D+01
      3  -0.163365D+02 -0.212958D+02 -0.153689D+00  0.104093D+02  0.263279D+01
      4   0.280342D+02  0.546285D+02  0.282528D+01 -0.318712D+01 -0.717457D+01
      5   0.329293D+01  0.169649D+01  0.541723D+01  0.515968D+01  0.556179D+01
      6   0.303101D+01  0.672102D+01  0.533639D+01  0.183501D+01  0.512058D+01
               171           172           173           174           175 
      1  -0.135793D+01  0.697572D+01 -0.233876D+01  0.558793D+01 -0.108081D+02
      2   0.107882D+01 -0.771369D+01  0.141126D+01 -0.536866D+01  0.649656D+01
      3   0.279109D+00  0.737965D+00  0.927501D+00 -0.219272D+00  0.431153D+01
      4   0.566935D+01 -0.130288D+01  0.456374D+01  0.236417D+01  0.483882D+01
      5   0.153471D+01  0.105628D+02  0.162382D+01  0.133353D+02 -0.202611D+01
      6  -0.863433D-02  0.983029D+00  0.117716D+01  0.156318D+01  0.963782D+00
               176           177           178           179           180 
      1  -0.332326D+00 -0.263023D+00  0.114900D+02 -0.223231D+01 -0.116377D+02
      2   0.377825D+00  0.226207D+01 -0.117771D+02  0.718266D+00 -0.150469D+02
      3  -0.454992D-01 -0.199905D+01  0.287135D+00  0.151404D+01  0.266846D+02
      4   0.210430D+01  0.441265D+01  0.317196D+01  0.686121D+01  0.465924D+01
      5   0.453653D+01 -0.553074D+01  0.183775D+02  0.448959D+01  0.441528D+02
      6   0.364519D+00  0.386885D+01  0.338568D+01  0.561734D+01  0.105021D+02
               181           182           183           184           185 
      1  -0.401278D+01  0.673322D+01 -0.964614D+01  0.132724D+02 -0.772220D+01
      2  -0.134063D+01 -0.281754D+01  0.302990D+01 -0.649459D+01  0.332759D+01
      3   0.535341D+01 -0.391569D+01  0.661625D+01 -0.677784D+01  0.439461D+01
      4   0.700675D+01 -0.185802D+01 -0.734281D+00 -0.646459D+00 -0.512648D+00
      5  -0.697109D+01 -0.746760D+00 -0.128212D+01  0.374528D+00 -0.683432D+01
      6  -0.226416D+00  0.127728D+00 -0.147023D+00  0.358077D+00 -0.184923D+01
               186           187           188           189           190 
      1   0.161216D+01 -0.174875D+02  0.722199D-02 -0.198420D+02  0.119795D+02
      2   0.493621D+00  0.838045D+01  0.228243D+01 -0.887672D+01 -0.326472D+01
      3  -0.210579D+01  0.910706D+01 -0.228965D+01  0.287187D+02 -0.871474D+01
      4  -0.656836D+01 -0.106045D+01 -0.909577D+01  0.651676D+01  0.153559D+02
      5   0.668134D+01  0.175845D+01  0.643651D+01 -0.532609D+02 -0.585038D+01
      6   0.626462D+01 -0.184295D+00  0.374143D+01 -0.174142D+01 -0.124447D+01
               191           192           193           194           195 
      1   0.139241D+02 -0.558188D+01  0.339473D+02  0.200028D+02 -0.113094D+01
      2  -0.470826D+01  0.247675D+01 -0.116824D+02  0.712945D+01 -0.841446D+00
      3  -0.921586D+01  0.310513D+01 -0.222649D+02 -0.271323D+02  0.197239D+01
      4   0.194149D+02 -0.227862D+01  0.416323D+02  0.863028D+02 -0.122511D+02
      5  -0.232243D+01  0.611427D+01 -0.499901D+01 -0.136903D+02  0.137412D+02
      6  -0.567627D+00  0.529086D+00 -0.215671D+01 -0.458660D+01  0.578842D+01
               196           197           198           199           200 
      1  -0.123370D+02 -0.169717D+01  0.713029D+01  0.201794D+02 -0.415710D+01
      2   0.561042D+01 -0.789974D+00 -0.369907D+01 -0.132223D+02  0.258431D+01
      3   0.672655D+01  0.248714D+01 -0.343121D+01 -0.695712D+01  0.157279D+01
      4  -0.601023D+01 -0.158523D+02  0.100161D+02 -0.370315D+01  0.561938D+01
      5   0.129168D+02  0.108206D+02 -0.316384D+01  0.169127D+02  0.216623D+00
      6   0.213086D+01  0.584415D+01 -0.255824D+01  0.490490D+00  0.102091D+00
               201           202           203           204           205 
      1   0.153972D+02 -0.124037D+02  0.610432D+01 -0.124926D+01  0.412240D+02
      2  -0.969252D+01  0.735407D+01 -0.269903D+01  0.145396D+01 -0.260076D+02
      3  -0.570467D+01  0.504962D+01 -0.340529D+01 -0.204706D+00 -0.152164D+02
      4   0.401019D+00  0.108808D+02  0.230376D+01  0.713051D+01  0.259075D+01
      5   0.213132D+02 -0.304985D+01  0.671072D+01 -0.825356D+01  0.419683D+02
      6   0.921856D+00  0.146319D+01 -0.991642D+00  0.374699D+01  0.110966D+01
               206           207           208           209           210 
      1   0.264857D+01  0.247932D+02  0.901446D+02 -0.249704D+02 -0.286428D+02
      2  -0.901729D+00 -0.257205D+02 -0.471884D+02  0.129784D+02  0.158182D+02
      3  -0.174684D+01  0.927294D+00 -0.429562D+02  0.119920D+02  0.128246D+02
      4   0.132735D+02 -0.305085D+01 -0.255700D+02  0.200740D+02  0.899459D+01
      5  -0.221676D+01  0.741897D+02 -0.326435D+02  0.967196D+01  0.247608D+02
      6   0.419401D+01  0.306882D+01  0.142919D+01 -0.968163D+00 -0.416352D+00
               211           212           213           214           215 
      1  -0.555953D+02  0.217151D+02  0.129902D+02 -0.535355D+02  0.102941D+02
      2   0.284587D+02 -0.859290D+01 -0.743628D+01  0.295245D+02 -0.624193D+01
      3   0.271366D+02 -0.131222D+02 -0.555395D+01  0.240110D+02 -0.405215D+01
      4   0.288096D+02 -0.181702D+02 -0.133787D+02  0.123982D+02 -0.171803D+02
      5   0.169726D+02 -0.138113D+02 -0.170091D+02  0.359985D+02 -0.120696D+02
      6  -0.244795D+01  0.222357D+01  0.245565D+01 -0.155394D+01  0.282448D+01
               216           217           218           219           220 
      1   0.263826D+02  0.317103D+02 -0.169320D+02 -0.118195D+02 -0.156723D+02
      2  -0.179162D+02 -0.784948D+01 -0.167886D+01  0.381320D+01 -0.147861D+01
      3  -0.846634D+01 -0.238608D+02  0.186109D+02  0.800626D+01  0.171509D+02
      4  -0.115134D+02 -0.376959D+02  0.367928D+02  0.142040D+02  0.336908D+02
      5  -0.228727D+02 -0.177044D+02  0.112726D+02  0.151794D+02  0.108577D+02
      6   0.222843D+01  0.871746D+01 -0.674254D+01 -0.817470D+01 -0.704678D+01
               221           222           223           224           225 
      1   0.945128D+01  0.309405D+01 -0.189424D+02  0.472001D+01  0.716999D+01
      2   0.101894D+02  0.353110D+01  0.642153D+01  0.507369D+01 -0.252464D+01
      3  -0.196406D+02 -0.662515D+01  0.125209D+02 -0.979370D+01 -0.464535D+01
      4  -0.395324D+02 -0.163529D+02  0.222505D+02 -0.272020D+02 -0.197314D+02
      5  -0.151538D+02 -0.126216D+02  0.190089D+02 -0.172904D+02 -0.162745D+02
      6   0.106578D+02  0.920843D+01 -0.966201D+01  0.114492D+02  0.938225D+01
               226           227           228           229           230 
      1   0.300716D+01 -0.517267D+01  0.626417D+01 -0.304014D+01 -0.108091D+01
      2  -0.117810D+01  0.964435D+00 -0.396688D+01 -0.126743D+00  0.289500D+01
      3  -0.182906D+01  0.420824D+01 -0.229729D+01  0.316688D+01 -0.181408D+01
      4  -0.837404D+01  0.952806D+01 -0.449715D+01  0.771161D+01 -0.903376D+01
      5   0.821459D+01 -0.294586D+01  0.115344D+02 -0.166277D+01  0.802678D+01
      6  -0.292663D+01  0.132324D+01 -0.410852D+01  0.182286D+01 -0.560195D+01
               231           232           233           234           235 
      1   0.336302D+01  0.120335D+02  0.553468D+01 -0.426166D+01 -0.540379D+02
      2  -0.390801D+01 -0.677436D+01 -0.693440D+01 -0.474320D+01  0.307073D+02
      3   0.544993D+00 -0.525912D+01  0.139972D+01  0.900486D+01  0.233306D+02
      4   0.832384D+01 -0.999427D+01  0.197755D+02 -0.205712D+02  0.897324D+01
      5  -0.874364D+01  0.156681D+02 -0.180289D+02  0.477209D+02 -0.472514D+01
      6   0.973329D+01 -0.670050D+01  0.133957D+02 -0.252143D+02  0.430667D+01
               236           237           238           239           240 
      1  -0.197542D+02 -0.929517D+01 -0.142673D+02 -0.145120D+02 -0.303517D+01
      2   0.178246D+02  0.511321D+01  0.122781D+02  0.131760D+02  0.305825D+01
      3   0.192966D+01  0.418197D+01  0.198920D+01  0.133606D+01 -0.230734D-01
      4  -0.808079D+01  0.184626D+01  0.618597D-01 -0.197331D+01 -0.163235D+01
      5  -0.718218D+00 -0.270653D+01 -0.749047D+00 -0.238675D+01 -0.287146D+01
      6   0.225121D+01  0.400622D+01  0.137290D+01  0.213607D+01  0.344438D+01
               241           242           243           244           245 
      1  -0.955534D+01 -0.439163D+01 -0.688166D+01  0.143946D+01 -0.563910D+01
      2   0.453203D+01  0.403702D+01  0.335450D+01 -0.554991D+01  0.405509D+01
      3   0.502330D+01  0.354616D+00  0.352715D+01  0.411045D+01  0.158401D+01
      4   0.206804D+01 -0.429661D+01 -0.398877D+01 -0.696818D+01  0.521233D+01
      5   0.480656D+00 -0.495271D+01  0.914408D+00  0.109481D+02 -0.295686D+01
      6   0.232857D+01  0.458906D+01  0.867134D+00 -0.351226D+01  0.125596D+01
               246           247           248           249           250 
      1   0.493042D+01 -0.823269D+01 -0.776860D+00  0.347789D+01  0.580143D+01
      2  -0.519121D+01  0.558736D+01 -0.199568D+01  0.331931D+01 -0.791681D+01
      3   0.260795D+00  0.264533D+01  0.277254D+01 -0.679720D+01  0.211537D+01
      4  -0.252613D+01  0.810595D+01 -0.956828D+01  0.940904D+01 -0.315346D+01
      5   0.117621D+02 -0.434922D+01  0.990154D+01 -0.134610D+02  0.170930D+02
      6  -0.995568D+00  0.293127D+01 -0.578880D+01  0.734876D+01 -0.180495D+01
               251           252           253           254           255 
      1   0.154510D+01 -0.549175D+01 -0.391326D+02 -0.312153D+02 -0.317851D+02
      2   0.475236D+01 -0.145673D+02  0.201053D+02  0.176798D+02  0.116026D+02
      3  -0.629747D+01  0.200590D+02  0.190272D+02  0.135354D+02  0.201825D+02
      4   0.116502D+02 -0.104771D+02 -0.403945D+02 -0.542803D+01 -0.108634D+02
      5  -0.103151D+02  0.343907D+02 -0.371078D+02 -0.694104D+01  0.193260D+01
      6   0.669184D+01 -0.620141D+01 -0.186772D+02  0.258484D+01  0.914199D+01
               256           257           258           259           260 
      1  -0.186434D+02 -0.802029D+00 -0.811664D+00 -0.300774D+02  0.377864D-01
      2   0.184122D+02  0.106744D+02  0.136035D+02  0.117337D+02  0.123998D+02
      3   0.231253D+00 -0.987237D+01 -0.127918D+02  0.183437D+02 -0.124375D+02
      4   0.124242D+02  0.242913D+02  0.142286D+02 -0.766633D+01  0.984634D+01
      5   0.275647D+00  0.150684D+02 -0.104483D+02  0.487300D+01 -0.157505D+02
      6   0.880480D+01  0.126110D+02 -0.641740D+01  0.755629D+01 -0.130018D+02
               261           262           263           264           265 
      1   0.219895D+02  0.303770D+02 -0.175430D+02 -0.138608D+02 -0.101310D+02
      2  -0.196564D+02 -0.125108D+02  0.545314D+01  0.625454D+01  0.123615D+01
      3  -0.233313D+01 -0.178662D+02  0.120898D+02  0.760621D+01  0.889488D+01
      4  -0.955308D+01 -0.294145D+02  0.243087D+02  0.136894D+02  0.192526D+02
      5   0.650886D+01 -0.188427D+02  0.121598D+02  0.153035D+02  0.843910D+01
      6  -0.350062D+01  0.797241D+01 -0.577656D+01 -0.548454D+01 -0.453579D+01
               266           267           268           269           270 
      1   0.690219D+01  0.339207D+01 -0.235890D+02  0.133444D+02  0.134212D+02
      2   0.287335D+01  0.347175D+00  0.111470D+02 -0.379074D+01 -0.770149D+01
      3  -0.977554D+01 -0.373925D+01  0.124420D+02 -0.955367D+01 -0.571968D+01
      4  -0.255795D+02 -0.105277D+02  0.286287D+02 -0.292623D+02 -0.230753D+02
      5  -0.957204D+01 -0.953454D+01  0.265384D+02 -0.210146D+02 -0.264769D+02
      6   0.674446D+01  0.542458D+01 -0.111524D+02  0.113973D+02  0.122061D+02
               271           272           273           274           275 
      1  -0.125981D+02  0.171499D+02  0.196584D+02  0.820127D+01 -0.152849D+02
      2   0.504656D+01 -0.123224D+02 -0.651945D+01 -0.608427D+01  0.117076D+02
      3   0.755150D+01 -0.482757D+01 -0.131390D+02 -0.211700D+01  0.357736D+01
      4  -0.137481D+01 -0.355734D+01  0.941515D+00  0.117591D+01  0.309469D+01
      5   0.280068D+01 -0.266623D+01 -0.493889D+01  0.149903D+00  0.322817D+01
      6   0.834894D+01 -0.103949D+02 -0.127276D+02 -0.454678D+01  0.109526D+02
               276           277           278           279           280 
      1  -0.110880D+02  0.161446D+02 -0.163827D+02 -0.270464D+02  0.132951D+01
      2   0.642387D+01 -0.570620D+01  0.871643D+01  0.577708D+01  0.146314D+01
      3   0.466411D+01 -0.104384D+02  0.766624D+01  0.212694D+02 -0.279265D+01
      4   0.271467D+01  0.575136D+01  0.735921D+01  0.589939D+01  0.446843D+01
      5   0.586741D+01  0.138174D+01  0.105653D+02  0.152510D+02 -0.328533D+00
      6   0.122646D+02 -0.560330D+01  0.173755D+02  0.221130D+02 -0.103055D+01
               281           282           283           284           285 
      1   0.823553D+01 -0.921393D+00  0.615878D+01 -0.115514D+02  0.457483D+01
      2  -0.699474D+01  0.161109D+01 -0.306941D+01  0.214681D+02 -0.116607D+02
      3  -0.124080D+01 -0.689702D+00 -0.308938D+01 -0.991672D+01  0.708588D+01
      4   0.103610D+01 -0.448451D+00  0.492393D+01  0.145821D+02 -0.811368D+01
      5   0.147991D+01 -0.965828D+00  0.334623D+00 -0.997685D+01  0.986877D+01
      6  -0.120648D-01 -0.268419D+01 -0.456235D+00 -0.682965D+01  0.886284D+01
               286           287           288           289           290 
      1  -0.589375D+01  0.895690D+01 -0.830103D+01  0.750049D+02  0.179332D+02
      2   0.207053D+01 -0.193801D+02  0.120163D+02 -0.343713D+02 -0.180299D+01
      3   0.382322D+01  0.104232D+02 -0.371532D+01 -0.406336D+02 -0.161302D+02
      4  -0.696536D+01 -0.183688D+02  0.686723D+01  0.546261D+02  0.308133D+02
      5  -0.100617D+01  0.936724D+01 -0.175716D+02  0.410036D+02  0.143542D+02
      6  -0.198994D+01  0.760472D+01 -0.129589D+02  0.159569D+02  0.970325D+01
               291           292           293           294           295 
      1   0.166853D+02  0.909864D+01  0.810250D+01  0.169472D+01  0.147706D+02
      2  -0.102628D+02  0.781600D+00  0.985637D-01 -0.575847D+00 -0.993720D+01
      3  -0.642250D+01 -0.988024D+01 -0.820106D+01 -0.111887D+01 -0.483343D+01
      4   0.156300D+02  0.206013D+02  0.133709D+02  0.489154D+01  0.135968D+02
      5   0.212616D+02  0.699610D+01  0.595396D+01  0.498473D+01  0.210822D+02
      6   0.909756D+01  0.588663D+01  0.402045D+01  0.495641D+01  0.808184D+01
               296           297 
      1   0.244871D+01  0.663761D+01
      2  -0.166436D+01 -0.491409D+01
      3  -0.784354D+00 -0.172352D+01
      4   0.746450D+01  0.103615D+02
      5   0.930320D+01  0.135694D+02
      6   0.710965D+01  0.679543D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.703188D+00      0.178732D+01      0.596187D+01
   x         -0.418088D+00     -0.106267D+01     -0.354469D+01
   y         -0.341455D+00     -0.867891D+00     -0.289497D+01
   z          0.450649D+00      0.114543D+01      0.382076D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159858D+03      0.236885D+02      0.263571D+02
   aniso      0.764522D+02      0.113291D+02      0.126053D+02
   xx         0.208368D+03      0.308769D+02      0.343552D+02
   yx         0.931197D+01      0.137989D+01      0.153534D+01
   yy         0.134084D+03      0.198693D+02      0.221075D+02
   zx         0.307555D+01      0.455749D+00      0.507089D+00
   zy        -0.921756D+01     -0.136590D+01     -0.151977D+01
   zz         0.137123D+03      0.203195D+02      0.226084D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.166788D+03      0.247155D+02      0.274997D+02
   aniso      0.792798D+02      0.117481D+02      0.130715D+02
   xx         0.216957D+03      0.321496D+02      0.357713D+02
   yx         0.996418D+01      0.147654D+01      0.164287D+01
   yy         0.139983D+03      0.207434D+02      0.230801D+02
   zx         0.341243D+01      0.505670D+00      0.562634D+00
   zy        -0.967353D+01     -0.143347D+01     -0.159495D+01
   zz         0.143425D+03      0.212535D+02      0.236477D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.10145150         -0.51474578          3.04519026
     6         -2.22361323         -0.63331010          1.81130981
     6          2.33725247         -0.24980902          1.69946998
     6          2.31707738         -0.08354237         -0.92611061
     6          0.00121780         -0.21453402         -2.17250801
     6         -2.22908876         -0.48735371         -0.81904178
     6         -4.64107380         -0.84653986          3.29313845
     6         -5.46928815          1.64045208          4.56382459
     6         -7.77634742          1.18811662          6.23965148
     6         -5.98559281          3.71401549          2.62336802
     6          4.76486309          0.26687338         -2.38791527
     6          5.04419418         -1.88737721         -4.25775175
     8          4.38298990         -1.85290953         -6.43412741
     8          6.09853045         -3.94921689         -3.17663824
     1          0.16590638         -0.64307097          5.08831814
     1          4.12167492         -0.17830936          2.70048146
     1         -0.05703619         -0.12489036         -4.21573445
     1         -4.00960549         -0.58946142         -1.82430782
     1         -4.42117528         -2.28736851          4.75858178
     1         -6.16176577         -1.49240845          2.05032400
     1         -3.90714111          2.26739457          5.76991374
     1         -7.39574952         -0.24564442          7.67450317
     1         -9.38300498          0.54110389          5.11225885
     1         -8.34633183          2.92012780          7.20502054
     1         -6.53411597          5.47142888          3.55430907
     1         -7.52775484          3.16285746          1.36175967
     1         -4.32724537          4.09694941          1.46220334
     1          6.32176010          0.11021833         -1.04635698
     6          4.88428905          2.82315577         -3.73289574
     1          6.12125891         -5.26872864         -4.44944632
     1          4.66025151          4.34113464         -2.35885364
     1          3.38717392          2.97850394         -5.13525120
     1          6.68869274          3.06476906         -4.69998770

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.703188D+00      0.178732D+01      0.596187D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.703188D+00      0.178732D+01      0.596187D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159858D+03      0.236885D+02      0.263571D+02
   aniso      0.764522D+02      0.113291D+02      0.126053D+02
   xx         0.183110D+03      0.271340D+02      0.301907D+02
   yx        -0.588824D+01     -0.872547D+00     -0.970839D+00
   yy         0.126103D+03      0.186866D+02      0.207917D+02
   zx        -0.319070D+02     -0.472813D+01     -0.526076D+01
   zy         0.651298D+00      0.965124D-01      0.107385D+00
   zz         0.170361D+03      0.252450D+02      0.280888D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.166788D+03      0.247155D+02      0.274997D+02
   aniso      0.792798D+02      0.117481D+02      0.130715D+02
   xx         0.191037D+03      0.283087D+02      0.314977D+02
   yx        -0.578468D+01     -0.857202D+00     -0.953765D+00
   yy         0.131548D+03      0.194934D+02      0.216893D+02
   zx        -0.329548D+02     -0.488340D+01     -0.543351D+01
   zy         0.504117D+00      0.747025D-01      0.831177D-01
   zz         0.177781D+03      0.263444D+02      0.293121D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-17\Freq\RwB97XD\Gen\C13H18O2\PIERPA\27-Sep-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-0.868055,-
 1.025183,0.932371\C,-1.434107,-0.545371,-0.248073\C,0.458923,-0.767507
 ,1.247518\C,1.261147,-0.015622,0.393477\C,0.704012,0.460918,-0.791509\
 C,-0.622388,0.197168,-1.104326\C,-2.884143,-0.797677,-0.56093\C,-3.859
 347,0.079867,0.248474\C,-5.302322,-0.340915,-0.025297\C,-3.656246,1.56
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 IT IS NOT EASY TO DESCRIBE
     THE SEA WITH THE MOUTH

                   -- KOKYU
 Job cpu time:       0 days  9 hours 59 minutes  1.4 seconds.
 Elapsed time:       0 days  1 hours 15 minutes  4.5 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 11:08:16 2021.
